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Sodium deoxycholate

Catalog Number

ACM302954

CAS

302-95-4

Structure

IUPAC Name

Sodium;(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]pentanoate

Synonyms

Deoxycholic acid sodium

Molecular Weight

414.6

Molecular Formula

C24H39NaO4

Canonical SMILES

CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+]

InChI

InChI=1S/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1

InChI Key

FHHPUSMSKHSNKW-SMOYURAASA-M

Melting Point

357-365 °C

Purity

99%+

Actives

95%

Physical State

Powder

Typical Applications

Use as emulsifying agent, dispersing agent.
Use as lubricant.

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

Custom Q&A

What is the molecular formula of Sodium deoxycholate?

The molecular formula of Sodium deoxycholate is C24H39NaO4.

What is the molecular weight of Sodium deoxycholate?

The molecular weight of Sodium deoxycholate is 414.6 g/mol.

What is Sodium deoxycholate commonly used for?

Sodium deoxycholate is commonly used as a choleretic and detergent.

What is the IUPAC Name of Sodium deoxycholate?

The IUPAC Name of Sodium deoxycholate is sodium;(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]pentanoate.

What is the InChIKey of Sodium deoxycholate?

The InChIKey of Sodium deoxycholate is FHHPUSMSKHSNKW-SMOYURAASA-M.

What is the canonical SMILES of Sodium deoxycholate?

The canonical SMILES of Sodium deoxycholate is CC(CCC(=O)[O-])C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C.[Na+].

What is the CAS number of Sodium deoxycholate?

The CAS number of Sodium deoxycholate is 302-95-4.

What are some synonyms for Sodium deoxycholate?

Some synonyms for Sodium deoxycholate include Deoxycholic acid sodium salt and Sodium desoxycholate.

What are some related CAS numbers for Sodium deoxycholate?

Related CAS numbers for Sodium deoxycholate include 83-44-3 (Parent) and 145224-92-6.

What is the ChEMBL ID of Sodium deoxycholate?

The ChEMBL ID of Sodium deoxycholate is CHEMBL1365278.

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