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Taurodeoxycholicacid (Crude)

Taurodeoxycholicacid (Crude) is a sodium salt of a taurine-conjugated bile acid derivative, structurally derived from deoxycholic acid via amidation with taurine at the C-24 position. It features a steroid nucleus with a 5ฮฒ-cholan-24-oic acid backbone, three hydroxyl groups at C-3, C-7, and C-12, and a sulfonate group from taurine conjugation. As an API impurity, it arises from incomplete conjugation during parent drug synthesis. This crude form serves as an HPLC reference standard for quantifying conjugated bile acid impurities in pharmaceutical formulations.

On Request
Molecular Formula C26H44NNaO6S
Molecular Weight 521.7000
CAS Number 1180-95-6 โœ“ Verified
PubChem CID 23664773 โ†—
Purity N/A
Product Type API Impurity
Lead Time On Request
IUPAC Name sodium 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-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]ethanesulfonate

๐Ÿ“ Synonyms

Taurodeoxycholic acid sodium salt 1180-95-6 SODIUM TAURODEOXYCHOLATE 5PE424S83L Taurodeoxycholate, Sodium RefChem:184114 214-652-0 Ethanesulfonic acid, 2-(((3alpha,5beta,12alpha)-3,12-dihydroxy-24-oxocholan-24-yl)amino)-, monosodium salt Taurodeoxycholate sodium salt Taurodeoxycholate (sodium salt)

๐Ÿ”ฌ Chemical Identifiers

C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]
InChI=1S/C26H45NO6S.Na/c1-16(4-9-24(30)27-12-13-34(31,32)33)20-7-8-21-19-6-5-17-14-18(28)10-11-25(17,2)22(19)15-23(29)26(20,21)3;/h16-23,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33);/q;+1/p-1/t16-,17-,18-,19+,20-,21+,22+,23+,25+,26-;/m1./s1
YXHRQQJFKOHLAP-FVCKGWAHSA-M

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