Tauro-omega-muricholic acid, Na-salt

Product number: 65-1017
CAS number: 2456348-84-6
Synonyms: TOMCA

Identifiers

CAS Index Name: Ethanesulfonic acid, 2-[[(3α,5β,6α,7β)-3,6,7-trihydroxy-24-oxocholan-24-yl]amino]-, sodium 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-JTNLMKNRSA-N

Product information

Purity: >95%
Storage: Freezer
Supplied as: Neat
Physical state: Solid
Documentation: Certificate of Analysis
MSDS: Download

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65-1017-1Tauro-omega-muricholic acid, Na-salt - 1 mgNeat222.00 €
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Citations