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Structure

Sodium dehydrocholate

CAS
145-41-5
Catalog Number
ACM145415
Category
Steroidal Compounds
Molecular Weight
424.51
Molecular Formula
C24H33NaO5

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Specification

Synonyms
biliton; decholinsodium; decholinsodiumsalt; carachol; Natriumdehydrocholat; dilabilsodium; dehydrocholic acid monosodium salt; dycholium; SUPRACHOL; biliron; BILITON SODIUM SALT; SodiuMDehydrocholic;
IUPAC Name
Sodium dehydrocholate
Boiling Point
581.5ºC at 760mmHg
Melting Point
>300ºC
Flash Point
319.5ºC
Appearance
COA
Exact Mass
424.22300
Hazard Statements
Xn: Harmful;
Safety Description
22-36
WGK Germany
3
What is the molecular formula of Sodium dehydrocholate?

The molecular formula of Sodium dehydrocholate is C24H33NaO5.

What is the molecular weight of Sodium dehydrocholate?

The molecular weight of Sodium dehydrocholate is 424.5 g/mol.

What is the parent compound of Sodium dehydrocholate?

The parent compound of Sodium dehydrocholate is Dehydrocholic acid (CID 6674).

What are the synonyms of Sodium dehydrocholate?

The synonyms of Sodium dehydrocholate include DEHYDROCHOLATE SODIUM, Decholin, Sodium Dehydrocholate (sodium), and more.

What is the IUPAC name of Sodium dehydrocholate?

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.

What is the InChIKey of Sodium dehydrocholate?

The InChIKey of Sodium dehydrocholate is FKJIJBSJQSMPTI-CAOXKPNISA-M.

What is the canonical SMILES of Sodium dehydrocholate?

The canonical SMILES of Sodium dehydrocholate is CC(CCC(=O)[O-])C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(=O)C4)C)C.[Na+].

What is the CAS number of Sodium dehydrocholate?

The CAS number of Sodium dehydrocholate is 145-41-5.

What is the ChEMBL ID of Sodium dehydrocholate?

The ChEMBL ID of Sodium dehydrocholate is CHEMBL2106184.

What is the topological polar surface area of Sodium dehydrocholate?

The topological polar surface area of Sodium dehydrocholate is 91.3Ų.

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