GLYCOCHOLIC ACID SODIUM SALT Chemical Properties

Melting point:

210-215 °C (subl.)(lit.)

refractive index 

30 ° (C=1, H2O)

storage temp. 

Inert atmosphere,2-8°C

solubility 

DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly)

form 

Solid

color 

White to Off-White

Merck 

4494

Stability:

Hygroscopic

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-;/s3

InChIKey

OABYVIYXWMZFFJ-SEUIPJRTNA-M

SMILES

[C@@]12([H])[C@H](O)C[C@]3([H])C[C@H](O)CC[C@]3(C)[C@@]1([H])C[C@H](O)[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCC(=O)NCC([O-])=O.[Na+] |&1:0,2,5,8,12,14,17,19,21,24,26,r|

CAS DataBase Reference

863-57-0(CAS DataBase Reference)

Safety Information

Safety Statements 

22-24/25

WGK Germany 

3

RTECS 

MB9265100

F 

3-9

HS Code 

29242990

GLYCOCHOLIC ACID SODIUM SALT Usage And Synthesis

Chemical Properties

Light Green Solid

Uses

Glycocholic Acid Sodium Salt is a biochemical formed by the conjugation of cholic acid (C432600) with glycine (G615990).

Definition

ChEBI: Sodium glycocholate is a bile salt. It contains a glycocholate.

Purification Methods

Dissolve it in EtOH, filter it and concentrated to crystallisation, and recrystallise from a little EtOH. It also crystallises from 95% EtOH/Et2O. [Beilstein 3 IV 573.]

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