Ursodeoxycholic acid supplier

Name
Ursodeoxycholic acid
EINECS 204-879-3
CAS No. 128-13-2
Article Data64
CAS DataBase
Density 1.128 g/cm³
Solubility practically insoluble in water
Melting Point 203-204 °C(lit.)
Formula C₂₄H₄₀O₄
Boiling Point 547.1 °C at 760 mmHg
Molecular Weight 392.579
Flash Point 298.8 °C
Transport Information
Appearance white crystalline powder
Safety 24/25-36-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms (4R)-4-[(3R,5S,7S,8R,9S,10R,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate;Cholan-24-oic acid, 3,7-dihydroxy-, (3-.alpha.,5-.beta., 7-.beta.)-;Cholan-24-oic acid,3,7-dihydroxy-,(3R,5a,- 7a)-;UDCA;5.beta.-Chol-24-oic acid-3.alpha., 7.beta.-diol;Arsacol;Ursochol;Antigall;Urso (TN);Ursodiol;Antigall (TN);Actigall;Urso;Litursol;Deursil;Desocol;Ursodeoxycholic acid (JP14);Delursan;Ursodiol (USP);deoxy-;Urso Deoxy Cholic Acid;7beta-Hydroxylithocholic acid;Ursodeoxycholoc acid;
PSA 77.76000
LogP 4.47790

Synthetic route

: 10538-55-3
3α,7β-dihydroxy-5β-cholan-24-oic acid methyl ester

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
With methanol; sodium methylate at 25℃;	99%
With water; sodium hydroxide at 97℃; for 2h; Large scale;	49.1 kg
With water; sodium hydroxide at 120℃; for 12h;	20.7 g
With water; sodium hydroxide at 120℃; for 12h; Time;	29.4 g

: 4651-67-6
7-Ketolithocholic acid

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
With glucose dehydrogenase; D-Glucose; NADPH; 7β-hydroxysteroid dehydrogenase In aq. phosphate buffer at 30℃; for 1h; pH=8; Concentration; pH-value; Enzymatic reaction;	98%
With nicotinamide adenine dinucleotide phosphate; isopropyl alcohol In aq. phosphate buffer at 37℃; pH=7;	93%
With potassium borohydride; potassium tert-butylate In isopropyl alcohol at 40℃; for 24h;	92%

potassium ter.butylate: potassium ter.butylate

: potassium 3,7-dioxo-5beta-cholanate

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
With hydrogenchloride; hydrogen; aluminum nickel In water	98%

: C24H36O4

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
Stage #1: C24H36O4 With potassium tert-butylate In tert-butyl alcohol for 0.5h; Stage #2: With palladium 10% on activated carbon; hydrogen In tert-butyl alcohol at 80℃; under 3750.38 Torr; for 12h; Solvent; Reagent/catalyst; Temperature;	96%

: 4651-67-6
7-Ketolithocholic acid

A: 474-25-9
chenodeoxycholic acid

B: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
Stage #1: 7-Ketolithocholic acid With potassium tert-butylate; palladium(II) hydroxide; potassium hydroxide In isopropyl alcohol at 20℃; for 0.166667h; Stage #2: With hydrogen In isopropyl alcohol at 40 - 80℃; Reagent/catalyst; Temperature;	A n/a B 95%
With sodium tetrahydroborate; sodium hydrogencarbonate In water at 20℃; for 0.5h; var. reducing agents;	A 94% B 2%
With potassium In tert-butyl alcohol for 0.5h; Heating; var. reducing agents;	A 6% B 94%

: (3α,5β,7β)-7-hydroxy-3-[(4-nitrobenzoyl)oxy]-5-cholen-24-acid methyl ester

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
With sodium hydroxide In methanol; water at 20℃; for 6h;	94%

: 3α-hydroxy-7-keto-5β-chol-11-en-24-oic acid

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
With potassium borohydride; potassium tert-butylate; hydrogen at 40℃; under 30003 Torr; for 24h;	93%
With potassium borohydride; potassium tert-butylate; hydrogen In isopropyl alcohol at 40℃; under 30003 Torr; for 24h; Autoclave;	93%
With potassium borohydride; potassium tert-butylate; hydrogen In isopropyl alcohol at 40℃; under 30003 Torr; for 24h;	93%

: (E)-7-hydroxy-3-oxo-4,6,22-choladienoic acid ethyl ester

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
Stage #1: (E)-7-hydroxy-3-oxo-4,6,22-choladienoic acid ethyl ester In 2-methyltetrahydrofuran at 90℃; under 30003 Torr; for 24h; Autoclave; Stage #2: With sodium t-butanolate In 2-methyltetrahydrofuran; isopropyl alcohol at 90℃; under 30003 Torr; for 24h; Solvent; Reagent/catalyst; Temperature; Autoclave;	87%

: C26H36O4

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
Stage #1: C26H36O4 With hydrogen In 2-methyltetrahydrofuran at 90℃; under 30003 Torr; for 24h; Autoclave; Stage #2: With sodium t-butanolate In 2-methyltetrahydrofuran; isopropyl alcohol at 90℃; for 24h; Solvent; Reagent/catalyst; Temperature;	87%

: 474-25-9
chenodeoxycholic acid

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
With NAD In methanol; aq. phosphate buffer at 25℃; for 24h; pH=8;	86%
With 7β-hydroxysteroid dehydrogenase; Sepharose-CL6B; TEA; nicotinamide adenine dinucleotide In water at 20℃; for 120h;	75%
Multi-step reaction with 2 steps 1: potassium phosphate, pyruvate, dithiothreitol, NAD / H2O / Ambient temperature; lactic dehydrogenase, 7α-hydroxysteroid dehydrogenase 2: potassium phosphate, glucose, dithiothreitol, NADP / H2O / glucose dehydrogenase, 7β-hydroxysteroid dehydrogenase View Scheme

: 434-13-9
Lithocholic acid

A: 128-13-2
ursodeoxycholic acid

B: 77060-26-5
3-keto-7β-hydroxy-5β-cholan-24-oic acid

Conditions

Conditions	Yield
With Gibberella zeae VKM F-2600 extract In methanol; aq. phosphate buffer at 29℃; for 122h; pH=7; Microbiological reaction;	A 83% B n/a

: 81873-91-8
3α,7β-dihydroxy-12-oxo-5β-cholane-24-oic acid

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
With hydrazine hydrate; potassium hydroxide; 2,2'-[1,2-ethanediylbis(oxy)]bisethanol at 110 - 135℃; Wolf-Kishner reduction;	82%

: methyl 3α-acetoxy-7-keto-5β-chol-11-enoate

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
With potassium borohydride; potassium tert-butylate; hydrogen at 40℃; under 30003 Torr; for 24h;	80%
Multi-step reaction with 2 steps 1: sodium hydroxide; water / methanol; tetrahydrofuran / 4 h / Reflux; Inert atmosphere 2: potassium tert-butylate; potassium borohydride; hydrogen / isopropyl alcohol / 24 h / 40 °C / 30003 Torr / Autoclave View Scheme

: 7-ketochenodeoxycholic acid sodium salt

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
With 1,4-dihydronicotinamide adenine dinucleotide; 7β-hydroxysteroid dehydrogenase; 2-hydroxyethanethiol; ethylenediaminetetraacetic acid In phosphate buffer at 20℃; for 48h; pH=7;	75%

: ethyl 3α-benzoyloxy-7β-hydroxy-chol-5-en-24-oate

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
Stage #1: ethyl 3α-benzoyloxy-7β-hydroxy-chol-5-en-24-oate With palladium 10% on activated carbon; hydrogen; acetic acid In ethanol under 2844.39 Torr; for 24h; Stage #2: With methanol; sodium hydroxide for 18h; Reflux;	71%

: 7753-72-2
methyl 3,7-dioxocholan-24-oate

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
With ammonia; lithium In tetrahydrofuran; methanol at -50℃; for 1h;	68%

: 10452-65-0
methyl 3α-acetoxy-7-oxo-5β-cholan-24-oate

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
With sodium In butan-1-ol at 20 - 60℃; for 2.25h; Inert atmosphere;	62%

: 474-25-9
chenodeoxycholic acid

A: 128-13-2
ursodeoxycholic acid

B: 4651-67-6
7-Ketolithocholic acid

Conditions

Conditions	Yield
With air; Xanthomonas maltophilia CBS 827.97 In sodium hydroxide at 30℃; for 4h; pH=8; epimerisation;	A 27% B 23%
With Xanthomonas maltophilia In water at 30℃; for 24h; pH=8; anaerobic;	A 27% B 23%

: 859-97-2
3,7-diketocholanic acid

A: 474-25-9
chenodeoxycholic acid

B: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
With aluminum isopropoxide; isopropyl alcohol

: 4651-67-6
7-Ketolithocholic acid

: 141-52-6
sodium ethanolate

A: 474-25-9
chenodeoxycholic acid

B: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
at 200℃;

...Expand

: 859-97-2
3,7-diketocholanic acid

: 555-31-7
aluminum isopropoxide

: 67-63-0
isopropyl alcohol

A: 474-25-9
chenodeoxycholic acid

B: 128-13-2
ursodeoxycholic acid

...Expand

: 81857-23-0
methyl 3-O-acetyl-7-O-mesylchenodeoxycholate

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
With potassium superoxide; 18-crown-6 ether In dimethyl sulfoxide for 3h; Yield given;

6A,6D-bis(2-naphthylsulfonyl)-γ-cyclodextrin ursodeoxycholic acid 1:1 complex: 6A,6D-bis(2-naphthylsulfonyl)-γ-cyclodextrin ursodeoxycholic acid 1:1 complex

A: 128-13-2
ursodeoxycholic acid

B 6A,6D-bis(2-naphthylsulfonyl)-γ-cyclodextrin: 6A,6D-bis(2-naphthylsulfonyl)-γ-cyclodextrin

Conditions

Conditions	Yield
In water; ethylene glycol at 25℃; Equilibrium constant; decomplexation;

6A,6E-bis(2-naphthylsulfonyl)-γ-cyclodextrin ursodeoxycholic acid 1:1 complex: 6A,6E-bis(2-naphthylsulfonyl)-γ-cyclodextrin ursodeoxycholic acid 1:1 complex

A: 128-13-2
ursodeoxycholic acid

B 6A,6E-bis(2-naphthylsulfonyl)-γ-cyclodextrin: 6A,6E-bis(2-naphthylsulfonyl)-γ-cyclodextrin

Conditions

Conditions	Yield
In water; ethylene glycol at 25℃; Equilibrium constant; decomplexation;

: 7647-01-0
hydrogenchloride

: 4651-67-6
7-Ketolithocholic acid

: 64-19-7
acetic acid

platinum: platinum

A: 474-25-9
chenodeoxycholic acid

B: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
Hydrogenation;

...Expand

: 92411-07-9
[3H] Sodium glycoursodeoxycholate

A: 128-13-2
ursodeoxycholic acid

B: 56-40-6
glycine

Conditions

Conditions	Yield
With chloylglycine hydrolase In phosphate buffer at 84℃; for 0.0833333h;

: 16564-43-5
glycochenodeoxycholic acid sodium salt

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 100 percent Chromat. / chloylglycine hydrolase; β-mercaptoethanol; EDTA / aq. phosphate buffer / 3 h / 20 °C / pH 8 2: 75 percent / Sepharose-CL6B; 7β-hydroxysteroid dehydrogenase; TEA / NAD(+) / H2O / 120 h / 20 °C View Scheme

: 6009-98-9
sodium taurochenodeoxycholate

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 100 percent Chromat. / chloylglycine hydrolase; β-mercaptoethanol; EDTA / aq. phosphate buffer / 0.33 h / 20 °C / pH 8 2: 75 percent / Sepharose-CL6B; 7β-hydroxysteroid dehydrogenase; TEA / NAD(+) / H2O / 120 h / 20 °C View Scheme

: 10538-64-4
methyl 3α,7α-dihydroxy-12-oxo-5β-cholan-24-oate

: 128-13-2
ursodeoxycholic acid

Conditions

Conditions	Yield
Multi-step reaction with 5 steps 1: 52 percent / acetic acid / 12 h / Ambient temperature 2: 57 percent / NaBH4 / acetic acid / 3 h / Ambient temperature 3: pyridine / benzene 4: pyridine / Ambient temperature 5: KO2/18-crown-6 ether / dimethylsulfoxide / 3 h View Scheme

: 107-68-6
N-Methyltaurine

: 128-13-2
ursodeoxycholic acid

: 3α,7β-dihydroxy-5β-cholan-24-oyl-N-methyltaurine

Conditions

Conditions	Yield
With triethylamine; 4-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium chloride In N,N-dimethyl-formamide at 20℃; for 1h;	100%

: 67-56-1
methanol

: 128-13-2
ursodeoxycholic acid

: 10538-55-3
3α,7β-dihydroxy-5β-cholan-24-oic acid methyl ester

Conditions

Conditions	Yield
With toluene-4-sulfonic acid for 2.5h; Reflux;	98%
With sulfuric acid at 50℃; for 3h;	97%
With toluene-4-sulfonic acid at 65℃; for 2.5h;	97%

: 128-13-2
ursodeoxycholic acid

: 108-24-7
acetic anhydride

: 6533-77-3
(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-diacetoxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Conditions

Conditions	Yield
In pyridine at 20℃; for 12h;	98%
With dmap In dichloromethane at 20℃; for 1h; Inert atmosphere;	95%
With pyridine at 20℃; Inert atmosphere;	92%

: 128-13-2
ursodeoxycholic acid

: 70-70-2
4-hydroxypropiophenone

: C33H48O5

Conditions

Conditions	Yield
With dicyclohexyl-carbodiimide In dichloromethane at 10 - 20℃; for 2h; Temperature; Concentration;	97.3%

: 64-18-6
formic acid

: 128-13-2
ursodeoxycholic acid

: 6058-15-7, 6159-50-8
(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-bis(formyloxy)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid

Conditions

Conditions	Yield
at 55℃; for 20h;	96%
With perchloric acid	96%
1) 65 deg C, 4 h, 2) 25 deg C, 20 h;	95%

: 128-13-2
ursodeoxycholic acid

: ferric ursodeoxycholate

Conditions

Conditions	Yield
With iron(III) chloride; sodium hydroxide In water at 35℃; pH=8;	95%

: 107-35-7
Tau

: 128-13-2
ursodeoxycholic acid

: 35807-85-3
tauroursodeoxycholic acid sodium salt

Conditions

Conditions	Yield
With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; sodium hydroxide In water; acetonitrile; tert-butyl alcohol at 20 - 80℃;	95%

: 128-13-2
ursodeoxycholic acid

: 100-39-0
benzyl bromide

: 111992-93-9
benzyl 3α,7β-dihydroxy-5β-cholan-24-oate

Conditions

Conditions	Yield
With potassium carbonate In acetonitrile at 80℃; for 3h;	95%
With potassium carbonate In acetonitrile at 80℃; for 3h;	95%
Stage #1: ursodeoxycholic acid With potassium hydrogencarbonate In N,N-dimethyl-formamide for 0.333333h; Stage #2: benzyl bromide In N,N-dimethyl-formamide for 48h;	95%
With potassium carbonate In acetonitrile at 80℃; for 3h;	95%
With caesium carbonate In acetonitrile for 4h; Reflux;	82%

: 128-13-2
ursodeoxycholic acid

: 23848-46-6, 130593-75-8
UDC-OH

Conditions

Conditions	Yield
With samarium diiodide; water; triethylamine In tetrahydrofuran at 20℃; for 4h; Inert atmosphere;	94%
With lithium aluminium tetrahydride
Multi-step reaction with 2 steps 1: thionyl chloride / 3.5 h / 20 °C / Reflux 2: sodium tetrahydroborate; ethanol / 20 °C View Scheme

: 64-17-5
ethanol

: 128-13-2
ursodeoxycholic acid

: 69519-36-4
ethyl 3α,7β-dihydroxy-5β-cholan-24-oate

Conditions

Conditions	Yield
With toluene-4-sulfonic acid for 24h; Ambient temperature;	93%

: 128-13-2
ursodeoxycholic acid

: 6000-43-7
2-aminoethanoic acid hydrochloride

: 115488-03-4
glycine ursodeoxycholic acid ethyl ester

Conditions

Conditions	Yield
With triethylamine In acetone for 12h; Solvent; Time; Reflux;	93%

: 128-13-2
ursodeoxycholic acid

: 75-36-5
acetyl chloride

: 10538-55-3
3α,7β-dihydroxy-5β-cholan-24-oic acid methyl ester

Conditions

Conditions	Yield
In methanol at 0 - 20℃; for 6h;	92%

: 128-13-2
ursodeoxycholic acid

A: 88426-32-8
3,7-bis(sulfooxy)ursodeoxycholic acid

B: 59132-32-0, 64520-49-6, 68780-68-7, 68833-02-3, 124815-69-6, 68780-73-4
7-hydroxy-3-(sulfooxy)-(3α,5β,7β)-cholan-24-oic acid

C: 74723-14-1
7-(sulfooxy)ursodeoxycholic acid

Conditions

Conditions	Yield
With pyridine; sulfur trioxide pyridine complex at 0 - 20℃; for 0.166667h; other temperatures, other times, other reagent ratio;	A 91.9% B 4.1% C 2.6%
With pyridine; sulfur trioxide pyridine complex at -5℃; for 0.166667h; Product distribution; other temperatures, other reaction times, other reagent ratio;	A 25% B 31.2% C 25%
With pyridine; sulfur trioxide pyridine complex at -5℃; for 0.166667h; other temperatures, other times, other reagent ratio;	A 25% B 31.2% C 25%
With pyridine; sulfur trioxide pyridine complex at -5℃; for 0.166667h; other temperatures, other times, other reagent ratio;	A 25% B 31.2% C 25%

...Expand

: 63147-26-2
trimethyl-sulfo-ammonium betaine

: 128-13-2
ursodeoxycholic acid

: ursodeoxycholic acid di-trimethylammonium 3,7-disulfate

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 40 - 90℃;	91.6%

: 128-13-2
ursodeoxycholic acid

: 56-40-6
glycine

: 640-79-9, 13164-20-0, 64480-66-6, 66255-07-0, 93861-57-5, 93861-58-6, 130008-98-9, 132437-62-8, 139894-85-2
glycoursodeoxycholic acid

Conditions

Conditions	Yield
Stage #1: ursodeoxycholic acid; glycine With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; sodium hydroxide In water; acetonitrile; tert-butyl alcohol at 20 - 80℃; Stage #2: With hydrogenchloride In water pH=2;	91%

: 109-01-3
1-methyl-piperazine

: 128-13-2
ursodeoxycholic acid

: 86678-72-0
N1<(3α,5β,7β)3,7-dihydroxy-24-oxo-cholan-24-yl>N4 methyl-piperazine

Conditions

Conditions	Yield
With tributyl-amine; chloroformic acid ethyl ester In 1,4-dioxane 10 deg C, 10 min then rt., 1 h;	90%

: 128-13-2
ursodeoxycholic acid

: 77060-26-5
3-keto-7β-hydroxy-5β-cholan-24-oic acid

Conditions

Conditions	Yield
With dipotassium hydrogenphosphate; D-glucose; Pseudomonas paucimobilis; yeast extracxt; peptone In water at 28℃; for 24h;	90%
Multi-step reaction with 4 steps 1: triethylamine; DMAP / ethyl acetate / 10 h / Heating 2: 5percent NaOH / methanol / 1 h 3: Jones' reagent / acetone / 0.08 h 4: 95 percent / 20percent NaOH / 1 h / Heating View Scheme

: 128-13-2
ursodeoxycholic acid

: 147-94-4
arabinosyl cytosine

: (4R)-N-(1-((3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydro-furan-2-yl)-2-oxo-1,2-dihydropyrimidin-4-yl)-(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide

Conditions

Conditions	Yield
Stage #1: ursodeoxycholic acid With triethylamine; isobutyl chloroformate In N,N-dimethyl-formamide at -15℃; for 0.25h; Inert atmosphere; Stage #2: arabinosyl cytosine With triethylamine In N,N-dimethyl-formamide at -15 - 20℃; for 0.5h; Inert atmosphere;	87%
Stage #1: ursodeoxycholic acid With triethylamine; isobutyl chloroformate In N,N-dimethyl-formamide at -15℃; for 0.0833333h; Stage #2: arabinosyl cytosine With triethylamine In N,N-dimethyl-formamide at -15 - 20℃; for 2.5h;

: 123-75-1
pyrrolidine

: 128-13-2
ursodeoxycholic acid

: (R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-1-(pyrrolidin-1-yl)pentan-1-one

Conditions

Conditions	Yield
With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃; for 16h;	87%
With triethylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In dichloromethane at 20℃; for 16h;	87%

Ursodeoxycholic acid Chemical Properties

Molecule structure of Ursodeoxycholic acid (CAS NO.128-13-2):

IUPAC Name: (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Weight: 392.572 g/mol
Molecular Formula: C₂₄H₄₀O₄
Density: 1.128 g/cm³
Melting Point: 203-204 °C(lit.)
Boiling Point: 547.1 °C at 760 mmHg
Flash Point: 298.8 °C
Index of Refraction: 1.543
Molar Refractivity: 109.65 cm³
Molar Volume: 347.8 cm³
Surface Tension: 46 dyne/cm
Enthalpy of Vaporization: 95.01 kJ/mol
Vapour Pressure: 2.98E-14 mmHg at 25 °C
Solubility Ethanol: 50 mg/mL, clear
Water Solubility: practically insoluble
XLogP3-AA: 4.9
H-Bond Donor: 3
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 392.29266
MonoIsotopic Mass: 392.29266
Topological Polar Surface Area: 77.8
Heavy Atom Count: 28
Canonical SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
Isomeric SMILES: C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4C@@]3(CC[C@H](C4)O)C)O)C
InChI: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1
InChIKey: RUDATBOHQWOJDD-UZVSRGJWSA-N
EINECS: 204-879-3
Product Categories: Bile Acids; Biochemistry; Steroids; Intermediates & Fine Chemicals; Pharmaceuticals; API's

Ursodeoxycholic acid Uses

Ursodeoxycholic acid (CAS NO.128-13-2) can be used as an anticholelithogenic.

Ursodeoxycholic acid Production

Ursodeoxycholic acid is found in large quantities in bear bile.

Ursodeoxycholic acid Toxicity Data With Reference

1.	mmo-sat 40 mg/L	MUREAV Mutation Research. 158 (1985),45.
2.	orl-rat TDLo:11,900 mg/kg (4-20D preg):TER	AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 246 (1980),149.
3.	orl-rat LD50:4600 mg/kg	BCFAAI Bollettino Chimico Farmaceutico. 126 (1987),282.
4.	ipr-rat LD50:890 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),95.
5.	ivn-rat LD50:310 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),95.
6.	ivn-mus LD50:240 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982“ Edited by Japan Pharmaceutical Information Center. 6 (1982),95.

Ursodeoxycholic acid Safety Profile

Hazard Codes: Irritant Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26
S24/25:Avoid contact with skin and eyes.
S36:Wear suitable protective clothing.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 2
RTECS: FZ2000000
F: 10
Poison by intraperitoneal and intravenous routes. Experimental teratogenic and reproductive effects. Mutation data reported. Stimulates the flow of bile to the duodenum (a cholagogic). When heated to decomposition it emits acrid smoke and irritating fumes.

Ursodeoxycholic acid Specification

Ursodeoxycholic acid (CAS NO.128-13-2) is also named as 17-beta-(1-Methyl-3-carboxypropyl)etiocholane-3-alpha,7-beta-diol ; 3,7-Dihydroxycholan-24-oic acid ; 3-alpha,7-beta-Dihydroxy-5-beta-cholanoic acid ; 3-alpha,7-beta-Dihydroxycholanic acid ; 3-alpha,7-beta-Dioxycholanic acid ; 3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid ; 4-10-00-01604 (Beilstein Handbook Reference) ; 7-beta-Hydroxylithocholic acid ; Actigall ; Arsacol ; BRN 3219888 ; CCRIS 5502 ; Cholit-ursan ; Delursan ; Destolit ; Deursil ; Litursol ; Lyeton ; NSC 657950 ; NSC 683769 ; Peptarom ; Solutrat ; UNII-724L30Y2QR ; UrSO ; Ursacol ; Urso 250 ; Urso DS ; Urso Forte ; Ursobilin ; Ursochol ; Ursocholic acid, deoxy- ; Ursodamor ; Ursodeoxycholate ; Ursodiol ; Ursofalk ; Ursolvan . Ursodeoxycholic acid (CAS NO.128-13-2) is white crystalline powder.

Product Name

Ursodeoxycholic acid

Synthetic route

Ursodeoxycholic acid Chemical Properties

Ursodeoxycholic acid Uses

Ursodeoxycholic acid Production

Ursodeoxycholic acid Toxicity Data With Reference

Ursodeoxycholic acid Safety Profile

Ursodeoxycholic acid Specification

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