chenodeoxycholic acid

Description

chenodeoxycholic acid · CAS 474-25-9 · C24H40O4. UNII 0GEI24LG0J. Melting Point: 168-171; Melting Point: 165 - 167 °C; Solubility: 89.9.

Identification

CAS Registry Number	474-25-9
PubChem CID	10133
Molecular formula	C24H40O4
IUPAC name	(4R)-4-[(3R,5S,7R,8R,9S,10S,13R,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]pentanoic acid
UNII (FDA)	0GEI24LG0J

Computed Descriptors

Molecular Weight	392.6
XLogP3	4.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	392.29265975
Monoisotopic Mass	392.29265975
Topological Polar Surface Area	77.8
Heavy Atom Count	28
Formal Charge	0

Physical & Chemical Properties

Melting Point	168-171
Melting Point	165 - 167 °C
Solubility	89.9
Solubility	0.0899 mg/mL
LogP	4.15
Collision Cross Section	205.9 Ų [M-H]-

Physical description & handling notes

• Solid
• 203.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: Bile Acids]
• 202.8 Ų [M+H-H2O]+ [CCS Type: DT; Method: single field calibrated]
• 208.5 Ų [M+K-H+HCOO]- [CCS Type: DT; Method: single field calibrated]
• 224.5 Ų [M+K-H+HCOO]- [CCS Type: DT; Method: single field calibrated]
• 205.8 Ų [M+Na-H+HCOO]- [CCS Type: DT; Method: single field calibrated]

Regulatory Status

GHS notification summary	8.3% (1 / 12)

GHS Hazard Classification

GHS notification summary	8.3% (1 / 12)
Reported hazard statements	H302 (16.7%), H312 (16.7%), H315 (41.7%), H319 (41.7%), H332 (16.7%), H335 (16.7%), H361 (33.3%)

Documented Uses

• Chenodeoxycholic acid (chenodiol) is a primary bile acid, synthesized in the liver and present in high concentrations in bile that is used therapeutically to dissolve cholesterol gallstones. Chronic therapy is associated with transient elevations in serum aminotransferase levels in up to 30% of patients, but chenodiol has been linked to only rare instances of clinically apparent liver injury with jaundice.
• Breast Feeding; Lactation; Milk, Human; Bile Acids and Salts; Cholagogues and Choleretics; Cholic Acids; Gastrointestinal Agents
• Agents that are used to stimulate evacuation of the bowels.
• Drugs used for their effects on the gastrointestinal system, as to control gastric acidity, regulate gastrointestinal motility and water flow, and improve digestion.
• Established Pharmacologic Class [EPC] - Bile Acid
• Chemical Structure [CS] - Bile Acids and Salts

Synonyms

chenodeoxycholic acid; Chenodiol; 474-25-9; Chenix; Cdca; Chenic acid; Chendol; Chenodesoxycholic acid; Gallodesoxycholic acid; Anthropodeoxycholic acid; Anthropodesoxycholic acid; Anthropododesoxycholic acid; Fluibil; Chenocol; Chenossil; Cholanorm

Frequently Asked Questions

What are the CAS number and molecular formula of chenodeoxycholic acid?

CAS 474-25-9; molecular formula C24H40O4; molecular weight — g/mol.

What other names is chenodeoxycholic acid known by?

chenodeoxycholic acid, Chenodiol, 474-25-9, Chenix, Cdca, Chenic acid.

Is chenodeoxycholic acid classified as hazardous?

8.3% of GHS notifications report no hazard classification (1 of 12).

What are the key physical properties of chenodeoxycholic acid?

Melting Point: 168-171; Melting Point: 165 - 167 °C; Solubility: 89.9; Solubility: 0.0899 mg/mL.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.