ABC00878AW

Lithocholic acid 3-sulfate disodium salt

Lithocholic acid 3-sulfate disodium salt is a sulfated derivative of the bile acid lithocholic acid, featuring a 5ฮฒ-cholan-24-oic acid backbone with hydroxyl groups at C3 and C12. The sulfate ester at the C3 hydroxyl forms a disodium salt, introducing two sodium counterions to neutralize the anionic sulfate. This compound represents a direct sulfation byproduct of lithocholic acid during metabolic or synthetic processes, characterized by its enhanced hydrophilicity and altered ionization state. It serves as an HPLC reference standard for quantifying sulfation impurities in lithocholic acid-based pharmaceutical formulations.

On Request
Molecular Formula C24H38Na2O6S
Molecular Weight 500.6000
CAS Number 64936-81-8)
PubChem CID 168006840 โ†—
Purity N/A
Product Type API Impurity
Parent Drug Lithocholic
Lead Time On Request
IUPAC Name disodium;(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfonatooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate

๐Ÿ“ Synonyms

Lithocholic acid 3-sulfate disodium salt HY-113238A CS-0135872

๐Ÿ”ฌ Chemical Identifiers

C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OS(=O)(=O)[O-])C)C.[Na+].[Na+]
InChI=1S/C24H40O6S.2Na/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3;;/h15-21H,4-14H2,1-3H3,(H,25,26)(H,27,28,29);;/q;2*+1/p-2/t15-,16-,17-,18+,19-,20+,21+,23+,24-;;/m1../s1
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