374901-99-2 Purity
95%,3% aq. Solution
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Specification
The molecular formula of Sodium dehydrocholate is C24H33NaO5.
The molecular weight of Sodium dehydrocholate is 424.5 g/mol.
The parent compound of Sodium dehydrocholate is Dehydrocholic acid (CID 6674).
The synonyms of Sodium dehydrocholate include DEHYDROCHOLATE SODIUM, Decholin, Sodium Dehydrocholate (sodium), and more.
The IUPAC name of Sodium dehydrocholate is sodium;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate.
The InChIKey of Sodium dehydrocholate is FKJIJBSJQSMPTI-CAOXKPNISA-M.
The canonical SMILES of Sodium dehydrocholate is CC(CCC(=O)[O-])C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C.[Na+].
The CAS number of Sodium dehydrocholate is 145-41-5.
The ChEMBL ID of Sodium dehydrocholate is CHEMBL2106184.
The topological polar surface area of Sodium dehydrocholate is 91.3Ų.