Product Name

  • Name

    Sodium dehydrocholate

  • EINECS 205-652-1
  • CAS No. 145-41-5
  • Density
  • Solubility H2O: 0.1 M at 20 °C, clear, colorless
  • Melting Point >300°C
  • Formula C24H34O5.Na
  • Boiling Point 581.5°C at 760mmHg
  • Molecular Weight 424.513
  • Flash Point 319.5°C
  • Transport Information
  • Appearance COA
  • Safety 22-36
  • Risk Codes 22-37
  • Molecular Structure Molecular Structure of 145-41-5 (Sodium dehydrocholate)
  • Hazard Symbols
  • Synonyms 5b-Cholan-24-oic acid,3,7,12-trioxo-, sodium salt (8CI);Dehydrocholic acid sodium salt (6CI);Biliron;Biliton;Carachol;Decholin sodium;Decholin sodium salt;Dehydrocholatesodium;Dilabil sodium;Dycholium;Sodium 3,7,12-triketocholanate;Sodium3,7,12-trioxo-5b-cholanate;
  • PSA 91.34000
  • LogP 2.73860

Synthetic route

C34H50O10

C34H50O10

diethyl (2R,3R)-tartrate
87-91-2

diethyl (2R,3R)-tartrate

3,7,12-trioxo-5β-cholan-24-oic acid ethyl ester
52718-49-7

3,7,12-trioxo-5β-cholan-24-oic acid ethyl ester

A

C28H35O10(3-)*3Na(1+)

C28H35O10(3-)*3Na(1+)

B

Biliton
145-41-5

Biliton

C

sodium L-tartrate
526-94-3, 868-18-8, 4504-50-1, 14475-11-7, 21106-15-0, 21348-52-7, 21595-79-9, 22476-77-3, 25817-08-7, 51307-92-7, 60131-40-0, 64183-71-7, 109175-69-1

sodium L-tartrate

Conditions
ConditionsYield
With methanol; sodium hydroxide; water
...Expand
Biliton
145-41-5

Biliton

7,12-dioxolitocholic acid
517-33-9

7,12-dioxolitocholic acid

Conditions
ConditionsYield
With phosphate buffer; 3α-HSDH from Pseudomonas paucimobilis; NAD; iso-butanol In water at 22℃; for 48h;100%
With hydrogen; nickel In water at 30℃; for 2h; pH=8.8; ultrasound irradiation;80%
triphenylsulfonium 2-(4-chlorobutyryloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate
1126206-31-2

triphenylsulfonium 2-(4-chlorobutyryloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate

Biliton
145-41-5

Biliton

triphenylsulfonium 2-{4-[4-(10,13-dimethyl-3,7,12-trioxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoyloxy]-butyryloxy}-1,1,3,3,3-pentafluoropropane-1-sulfonate

triphenylsulfonium 2-{4-[4-(10,13-dimethyl-3,7,12-trioxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoyloxy]-butyryloxy}-1,1,3,3,3-pentafluoropropane-1-sulfonate

Conditions
ConditionsYield
With sodium iodide In N,N-dimethyl-formamide at 80℃; for 11h;50%
Biliton
145-41-5

Biliton

A

7,12-dioxolitocholic acid
517-33-9

7,12-dioxolitocholic acid

B

3β-hydroxy-7,12-diketo-5β-cholan-24-oic acid
3615-35-8

3β-hydroxy-7,12-diketo-5β-cholan-24-oic acid

Conditions
ConditionsYield
With malt extract; D-glucose; Collybia velutipes In water at 24℃; for 168h; Microbiological reaction;A 40%
B 20%
triphenylsulfonium 2-(2-chloroacetoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate
1126206-28-7

triphenylsulfonium 2-(2-chloroacetoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate

Biliton
145-41-5

Biliton

triphenylsulfonium 2-{4-[4-(10,13-dimethyl-3,7,12-trioxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoyloxy]-acetoxy}-1,1,3,3,3-pentafluoropropane-1-sulfonate

triphenylsulfonium 2-{4-[4-(10,13-dimethyl-3,7,12-trioxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoyloxy]-acetoxy}-1,1,3,3,3-pentafluoropropane-1-sulfonate

Conditions
ConditionsYield
With sodium iodide In N,N-dimethyl-formamide at 90℃; for 15h;24%
1-methylnicotinamide chloride
1005-24-9

1-methylnicotinamide chloride

Biliton
145-41-5

Biliton

C31H38N2O5

C31H38N2O5

Conditions
ConditionsYield
With potassium hydroxide for 12h; Ambient temperature;16.6%
Biliton
145-41-5

Biliton

erythromycin
114-07-8

erythromycin

C37H67NO13*C24H34O5

C37H67NO13*C24H34O5

Conditions
ConditionsYield
With phosphate buffer pH=5.5; ion pair formation;
Biliton
145-41-5

Biliton

methyl 3α-hydroxy-7,12-dioxo-5β-cholan-24-oate
10538-66-6

methyl 3α-hydroxy-7,12-dioxo-5β-cholan-24-oate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 40 percent / Collybia velutipes; glucose; malt extract / H2O / 168 h / 24 °C / Microbiological reaction
2: methanesulfonic acid; Na2SO4 / 0.03 h / Microwave irradiation
View Scheme
Multi-step reaction with 2 steps
1: 80 percent / H2 / Raney nickel / H2O / 2 h / 30 °C / pH 8.8 / ultrasound irradiation
2: methanesulfonic acid; Na2SO4 / 0.03 h / Microwave irradiation
View Scheme
Biliton
145-41-5

Biliton

methyl 3β-hydroxy-7,12-dioxo-5β-cholanate
81847-12-3

methyl 3β-hydroxy-7,12-dioxo-5β-cholanate

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 20 percent / Collybia velutipes; glucose; malt extract / H2O / 168 h / 24 °C / Microbiological reaction
2: methanesulfonic acid; Na2SO4 / 0.03 h / Microwave irradiation
View Scheme
C28H35O10(3-)*3Na(1+)

C28H35O10(3-)*3Na(1+)

Biliton
145-41-5

Biliton

A

C32H42O15

C32H42O15

B

C32H42O15

C32H42O15

C

C28H38O10
623552-24-9

C28H38O10

D

dehydrocholic acid
81-23-2

dehydrocholic acid

Conditions
ConditionsYield
With sulfuric acid; water In ethyl acetate pH=1 - 5;
...Expand

Sodium dehydrocholate Chemical Properties

IUPAC Name: Sodium 4-(10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)pentanoate
Synonyms of Sodium dehydrocholate (CAS NO.145-41-5): 5-Beta-Cholan-24-oic acid, 3,7,12-trioxo-, monosodium salt ; 5-Beta-Cholan-24-oic acid, 3,7,12-trioxo-, sodium salt ; Cholan-24-oic acid, 3,7,12-trioxo-, sodium salt, (5beta)-
Molecular Structure :
Molecular Formula: C24H33NaO5
Molecular Weight: 424.51
CAS NO: 145-41-5
EINECS: 205-652-1
Flash Point: 319.5 °C
Enthalpy of Vaporization: 95 kJ/mol
Boiling Point: 581.5 °C at 760 mmHg
Vapour Pressure: 4.96E-15 mmHg at 25°C
Melting point: >300°C
Refractive index: 27 ° (C=5, H2O)
Solubility: H2O: 0.1 M at 20 °C, clear, colorless
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 4
Polar Surface Area: 91.34 Å2
SMILES: [Na+].[O-]C(=O)CC[C@@H](C)[C@H]4CC[C@@H]3[C@]4(C)C(=O)C[C@H]1[C@H]3C(=O)C[C@@H]2CC(=O)CC[C@]12C
InChI: InChI=1/C24H34O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,16-,17+,18+,22+,23+,24-;/m1./s1
InChIKey: FKJIJBSJQSMPTI-ALKJRUHFBQ
Std. InChI: InChI=1S/C24H34O5.Na/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,16-,17+,18+,22+,23+,24-;/m1./s1 Std. InChIKey: FKJIJBSJQSMPTI-CAOXKPNISA-M
Product Categories of Sodium dehydrocholate (CAS NO.145-41-5): Bile Acids;Biochemistry;Steroids

Sodium dehydrocholate Uses

 Sodium dehydrocholate (CAS NO.145-41-5) may help to reduce serum endotoxin of obstructive jaundice.

Sodium dehydrocholate Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1480mg/kg (1480mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 280, 1970.
mouse LD50 intravenous 1100mg/kg (1100mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Yonago Igaku Zasshi. Journal of the Yonago Medical Association. Vol. 25, Pg. 70, 1974.
mouse LD50 oral 2150mg/kg (2150mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Yonago Igaku Zasshi. Journal of the Yonago Medical Association. Vol. 25, Pg. 70, 1974.
mouse LD50 subcutaneous 1350mg/kg (1350mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Yonago Igaku Zasshi. Journal of the Yonago Medical Association. Vol. 25, Pg. 70, 1974.
rabbit LDLo intravenous 1gm/kg (1000mg/kg) CARDIAC: OTHER CHANGES

BLOOD: OTHER CHANGES

GASTROINTESTINAL: OTHER CHANGES		 Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 52, Pg. 779, 1926.
rat LD50 intraperitoneal 1100mg/kg (1100mg/kg)   Chimica Therapeutica. Vol. 5, Pg. 188, 1970.
rat LD50 intravenous 887mg/kg (887mg/kg)   Research Progress in Organic-Biological and Medicinal Chemistry. Vol. 2, Pg. 280, 1970.
rat LD50 oral 3755mg/kg (3755mg/kg)   German Offenlegungsschrift Patent Document. Vol. 2630169,
rat LD50 subcutaneous 2300mg/kg (2300mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT		 Yonago Igaku Zasshi. Journal of the Yonago Medical Association. Vol. 25, Pg. 70, 1974.

Sodium dehydrocholate Consensus Reports

Reported in EPA TSCA Inventory.

Sodium dehydrocholate Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22-37
R22: Harmful if swallowed. 
R37: Irritating to respiratory system
Safety Statements: 22-36
S22: Do not breathe dust. 
S36: Wear suitable protective clothing.
WGK Germany: 3
RTECS: FZ2500000
F: 3-9

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