Chenodesoxycholic acid sodium salt

Catalog Number

ACM2646380

Product Name

Chenodesoxycholic acid sodium salt

Structure

CAS

2646-38-0

Category

Heterocyclic Organic Compound

Synonyms

Sodium chenodeoxycholate, Sodium chenodesoxycholate, CCRIS 637, Chenodeoxycholic acid sodium salt, Chenodesoxycholic acid sodium salt, CHENODEOXYCHOLIC ACID, SODIUM SALT, LS-53039, 5-beta-Cholan-24-oic acid, 3-alpha,7-alpha-dihydroxy-, monosodium salt, Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3-alpha,5-beta,7-alpha)-, Cholan-24-oic acid, 3,7-dihydroxy-, monosodium salt, (3-alpha,5-beta,7-alpha)- (9CI), 2646-38-0

IUPAC Name

sodium (4R)-4-[(3R,7R,9S,14S,17R)-3,7-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

Molecular Weight

414.57

Molecular Formula

C₂₄H₃₉O₄Na

Canonical SMILES

CC(CCC(=O)[O-])C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]

InChI Key

WDFRNBJHDMUMBL-ZAYPVJMVSA-M

Boiling Point

547.1ºC at 760mmHg

Flash Point

298.8ºC

Exact Mass

414.27500

Hazard Statements

Xn: Harmful;

H-Bond Acceptor

4

H-Bond Donor

2

MSDS

COA

Spec Sheet