Structure of Glycocholic acid CAS 475-31-0

Glycocholic acid CAS 475-31-0

Identification

CAS Number

475-31-0

Name

Glycocholic acid

Synonyms

3α,7α,12α-Trihydroxy-5β-cholan-24-oic acid N-(carboxymethyl)amide
Cholylglycine
N-(3α,7α,12α-Trihydroxy-24-oxocholan-24-yl)-glycine

molecular structure

Structure of Glycocholic acid CAS 475-31-0

SMILES

C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
StdInChI: InChI=1S/C26H43NO6/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)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1

StdInChIKey

RFDAIACWWDREDC-FRVQLJSFSA-N

Beilstein Registry Number

2955826

MDL Number

MFCD06408004

Molecular Formula

C26H43NO6

Molecular Weight

465.63

Properties

Appearance

Off-white to white solid

Boiling Point

692.042 °C at 760 mmHg

Flash Point

372.334 °C

Density

1.213 g/ml

Safety Data

Personal Protective Equipment

Eyeshields, Gloves

RIDADR

UN 3077 9/PG 3

WGK Germany

3

Specifications and Other Information of Our Glycocholic acid CAS 475-31-0

Identification Method

IR

PH

3.0-4.0

Specific Rotation(c=1.0,methanol)

+31.5º~+36.5º

Water

7.0% max

Related Substances

Cholic Acid: 1.0% max
Glycodeoxycholic Acid: 0.5% max
Deoxycholic Acid: 0.5% max
Total Other Related Substances: 1.0% max

Residual Solvents

Methanol: 0.3% max
Ethanol: 0.5% max
Ethyl Acetate: 0.5% max
Heavy Metals: 20 ppm max

Assay

98.5%-101.5% calculated on the anhydrous basis

Known Application

Glycocholic acid(CAS 475-31-0) is usually used as an adjuvant of injected multivitamin

Productivity

200kg/month

Watson-Int Link

http://watson-int.com/Glycocholic-acid_CAS_475-31-0.html