CAS 207614-05-9 | Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, sodium salt, hydrate (1:1:1) | CAS Number 207614-05-9

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207614-05-9 | Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, sodium salt, hydrate (1:1:1)

CAS No: 207614-05-9 Catalog No: AG002J5N MDL No:MFCD09037360

Product Description

Catalog Number:

AG002J5N

Chemical Name:

Glycine, N-[(3α,5β,7α,12α)-3,7,12-trihydroxy-24-oxocholan-24-yl]-, sodium salt, hydrate (1:1:1)

CAS Number:

207614-05-9

Molecular Formula:

C26H44NNaO7

Molecular Weight:

505.6198

MDL Number:

MFCD09037360

IUPAC Name:

sodium;2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-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]pentanoyl]amino]acetate;dihydrate

InChI:

InChI=1S/C26H43NO6.Na.2H2O/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);;2*1H2/q;+1;;/p-1/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;;;/m1.../s1

InChI Key:

SDTQNTQLAZRSIC-NWNSWQEHSA-M

SMILES:

O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2C[C@H](O)[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=O)NCC(=O)[O-])C)C)O)C.O.[Na+]