Tauro-gamma-muricholic acid Na salt
CAS number: 117997-17-8
Synonyms:
Sodium taurohyocholate, THCA, Taurohyocholate, Taurine Hyocholate
Identifiers
CAS Index Name:
Ethanesulfonic acid, 2-[[(3α,5β,6α,7α)-3,6,7-trihydroxy-24-oxocholan-24-yl]amino]-, monosodium salt
Molecular formula:
C26H44NO7S.Na
Molecular weight:
537.68
Smiles:
[Na].O=C(NCCS(=O)(=O)O)CCC(C)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C
Isomeric Smiles:
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(NCCS(=O)(=O)O)=O)C)(CC4)[H])[H])([C@H](O)[C@H](O)[C@@]1(C[C@H](O)CC2)[H])[H])[H].[Na]
InChI:
InChI=1S/C26H45NO7S.Na/c1-15(4-7-21(29)27-12-13-35(32,33)34)17-5-6-18-22-19(9-11-25(17,18)2)26(3)10-8-16(28)14-20(26)23(30)24(22)31;/h15-20,22-24,28,30-31H,4-14H2,1-3H3,(H,27,29)(H,32,33,34);/t15-,16-,17-,18+,19+,20+,22+,23-,24+,25-,26-;/m1./s1
InChIKey:
WXQBDDRIZHQRRK-YOAOXILXSA-N
Product information
Purity:
>95%
Storage:
Freezer
Supplied as:
Neat
Physical state:
Solid
Documentation:
Certificate of Analysis
MSDS:
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| 65-1016-5 | Tauro-gamma-muricholic acid Na salt - 10 mg | 266.00 € |