Product Name

  • Name

    GLYCOCHOLIC ACID SODIUM SALT

  • EINECS 212-730-9
  • CAS No. 863-57-0
  • Density
  • Solubility
  • Melting Point 210-215 °C
  • Formula C26H42NO6Na
  • Boiling Point 692oC at 760 mmHg
  • Molecular Weight 487.612
  • Flash Point 372.3oC
  • Transport Information
  • Appearance light green solid
  • Safety 22-24/25
  • Risk Codes
  • Molecular Structure Molecular Structure of 863-57-0 (GLYCOCHOLIC ACID SODIUM SALT)
  • Hazard Symbols
  • Synonyms Glycine,N-[(3a,5b,7a,12a)-3,7,12-trihydroxy-24-oxocholan-24-yl]-,monosodium salt (9CI);Glycine, N-choloyl-, monosodium salt (8CI);Cholane,glycine deriv.;Glycocholic acid sodium salt;Monosodium glycocholate;NSC35609;Sodium cholylglycinate;
  • PSA 129.92000
  • LogP 1.62110

Synthetic route

cholic acid
81-25-4

cholic acid

glycine
56-40-6

glycine

sodium glycocholate
863-57-0

sodium glycocholate

Conditions
ConditionsYield
With N-ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline; sodium hydroxide In water; dimethyl sulfoxide; acetonitrile; tert-butyl alcohol at 20 - 80℃;95%
sodium glycocholate
863-57-0

sodium glycocholate

[(R)-4-((5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-10,13-dimethyl-3-oxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoylamino]-acetic acid
88725-38-6

[(R)-4-((5R,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-Dihydroxy-10,13-dimethyl-3-oxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoylamino]-acetic acid

Conditions
ConditionsYield
With DL-dithiothreitol; NAD In water; ethyl acetate for 40h; Ambient temperature; 3α-hydroxysteroid dehydrogenase, puryvate/lactic dehydrogenase, serum albumin, potassium phosphate buffer pH=8.5; Yield given;
sodium glycocholate
863-57-0

sodium glycocholate

A

cholic acid
81-25-4

cholic acid

B

glycine
56-40-6

glycine

Conditions
ConditionsYield
With ethylenediaminetetraacetic acid; chloylglycine hydrolase; 2-hydroxyethanethiol In phosphate buffer at 20℃; for 0.333333h; pH=8;A 100 % Chromat.
B n/a
sodium glycocholate
863-57-0

sodium glycocholate

7-ketodeoxycholic acid
911-40-0

7-ketodeoxycholic acid

Conditions
ConditionsYield
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: 8 percent / Sepharose-CL6B; 7β-hydroxysteroid dehydrogenase; TEA / NAD(+) / H2O / 120 h / 20 °C
View Scheme
sodium glycocholate
863-57-0

sodium glycocholate

ursocholic acid
2955-27-3

ursocholic acid

Conditions
ConditionsYield
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: 80 percent / Sepharose-CL6B; 7β-hydroxysteroid dehydrogenase; TEA / NAD(+) / H2O / 120 h / 20 °C
View Scheme
sodium glycocholate
863-57-0

sodium glycocholate

glycocholic acid
107589-98-0

glycocholic acid

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: NAD, DTT / ethyl acetate; H2O / 40 h / Ambient temperature; 3α-hydroxysteroid dehydrogenase, puryvate/lactic dehydrogenase, serum albumin, potassium phosphate buffer pH=8.5
2: NADH, DTT / ethanol; H2O / 30 h / 3β-hydroxysteroid dehydrogenase, formate/formate dehydrogenase, potassium phosphate buffer pH=7.2
View Scheme
sodium glycocholate
863-57-0

sodium glycocholate

β‐cyclodextrin
7585-39-9

β‐cyclodextrin

C26H42NO6(1-)*C42H70O35*Na(1+)
103419-27-8

C26H42NO6(1-)*C42H70O35*Na(1+)

Conditions
ConditionsYield
In water at 25℃; pH=7; Thermodynamic data; Concentration; phosphate buffer;

Sodium glycocholate Specification

The IUPAC name of Sodium glycocholate is sodium 2-[4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]acetate. With the CAS registry number 863-57-0, it is also named as Glycocholate sodium salt. The product's categories are Detergents; Bile Acids; Biochemistry; Steroids; Mutagenesis Research Chemicals. Besides, it is light green solid, which should be stored in sealed and dry place. This chemical is used in biological medium. In addition, its molecular formula is C26H42NO6Na and its molecular weight is 487.60. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.

The other characteristics of Sodium glycocholate can be summarized as: (1)EINECS: 212-730-9; (2)H-Bond Donor: 4; (3)H-Bond Acceptor: 6; (4)Rotatable Bond Count: 6; (5)Tautomer Count: 2; (6)Exact Mass: 487.290983; (7)MonoIsotopic Mass: 487.290983; (8)Topological Polar Surface Area: 130; (9)Heavy Atom Count: 34; (10)Complexity: 766; (11)Melting Point: 210-215 °C; (12)refractive index: 30 ° (C=1, H2O).

People can use the following data to convert to the molecule structure.
(1)SMILES: [Na+].[O-]C(=O)CNC(=O)CC[C@@H](C)[C@H]3CC[C@H]2[C@@H]4[C@H](O)CC1C[C@H](O)CC[C@]1(C)[C@H]4C[C@H](O)[C@@]23C
(2)InChI: InChI=1/C26H43NO6.Na/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1/t14-,15,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1
(3)InChIKey: OABYVIYXWMZFFJ-KFPABCKBBN
(4)Std. InChI: InChI=1S/C26H43NO6.Na/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1/t14-,15,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1
(5)Std. InChIKey: OABYVIYXWMZFFJ-IBWKMHYSA-M

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