Dehydrocholic acid

Public-database records for Dehydrocholic acid (CAS 81-23-2), reproduced here for independent cross-checking.

Safety classification and hazard statements

Regulatory listings

Physical description and handling notes

• Insoluble
• 194.8 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: Bile Acids]
• 195.1 Ų [M+NH4]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: Bile Acids]
• 195.5 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: Bile Acids]
• 209.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: Bile Acids]
• 192.1 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Reported physical properties

How this substance is indexed

Documented uses

• Cholan-24-oic acid, 3,7,12-trioxo-, (5.beta.)-: ACTIVE
• No approved therapeutic indications.
• Gastrointestinal agents that stimulate the flow of bile into the duodenum (cholagogues) or stimulate the production of bile by the liver (choleretic).
• The duodenal experiment indicates that dehydrocholic acid is absorbed from the proximal small intestine.
• Administered dehydrocholic acid is excreted rapidly in bile as glycine- and taurine-conjugated bile acids.
• No pharmacokinetic data available.

Names this substance appears under

dehydrocholic acid; 81-23-2; Decholin; Dilabil; Procholon; Ketocholanic acid; Triketocholanic acid; 3,7,12-Trioxocholanic acid; 3,7,12-Triketocholanic acid; 3,7,12-Trioxo-5beta-cholan-24-oic acid; 3,7,12-Triketo-5beta-cholanoic acid; 3,7,12-Trioxo-5beta-cholanic acid; DTXSID2022888; NSC-8796; NH5000009I; Cholan-24-oic acid, 3,7,12-trioxo-, (5beta)-

Computed molecular descriptors

Database abstract

Dehydrocholic acid · CAS 81-23-2 · C24H34O5. UNII NH5000009I. 熔点: 237-240.

Source: PubChem / Wikidata; the batch COA governs where values differ.