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Name	Sodium glycocholate	EINECS	212-730-9
CAS No.	863-57-0	Density	N/A
PSA	129.92000	LogP	1.62110
Solubility	N/A	Melting Point	210-215 °C
Formula	C₂₆H₄₂NO₆Na	Boiling Point	692oC at 760 mmHg
Molecular Weight	487.612	Flash Point	372.3oC
Transport Information	N/A	Appearance	light green solid
Safety	22-24/25	Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
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;

Sodium glycocholate Synthetic route

: 81-25-4
cholic acid

: 56-40-6
glycine

: 863-57-0
sodium glycocholate

Conditions

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

: 863-57-0
sodium glycocholate

: 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

Conditions	Yield
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;

: 863-57-0
sodium glycocholate

A: 81-25-4
cholic acid

B: 56-40-6
glycine

Conditions

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

: 863-57-0
sodium glycocholate

: 911-40-0
7-ketodeoxycholic 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: 8 percent / Sepharose-CL6B; 7β-hydroxysteroid dehydrogenase; TEA / NAD(+) / H2O / 120 h / 20 °C View Scheme

: 863-57-0
sodium glycocholate

: 2955-27-3
ursocholic 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: 80 percent / Sepharose-CL6B; 7β-hydroxysteroid dehydrogenase; TEA / NAD(+) / H2O / 120 h / 20 °C View Scheme

: 863-57-0
sodium glycocholate

: 107589-98-0
glycocholic acid

Conditions

Conditions	Yield
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

: 863-57-0
sodium glycocholate

: 7585-39-9
β‐cyclodextrin

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

Conditions

Conditions	Yield
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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