Dehydrocholic acid

Modify Date: 2025-08-22 22:04:23

Dehydrocholic acid Structure
Dehydrocholic acid structure
 Common Name Dehydrocholic acid
CAS Number 81-23-2 Molecular Weight 402.524
Density 1.2±0.1 g/cm3 Boiling Point 581.5±50.0 °C at 760 mmHg
Molecular Formula C24H34O5 Melting Point 238-240 °C
MSDS N/A Flash Point 319.5±26.6 °C

 Use of Dehydrocholic acid


Dehydrocholic acid is a synthetic bile acid, manufactured by the oxidation of cholic acid. Dehydrocholic acid acts as a hydrocholeretic, increasing bile output to clear increased bile acid load.

 Names

Name 3,7,12-trioxo-5β-cholanic acid
Synonym More Synonyms

 Dehydrocholic acid Biological Activity

Description Dehydrocholic acid is a synthetic bile acid, manufactured by the oxidation of cholic acid. Dehydrocholic acid acts as a hydrocholeretic, increasing bile output to clear increased bile acid load.
Related Catalog

 Chemical & Physical Properties

Density 1.2±0.1 g/cm3
Boiling Point 581.5±50.0 °C at 760 mmHg
Melting Point 238-240 °C
Molecular Formula C24H34O5
Molecular Weight 402.524
Flash Point 319.5±26.6 °C
Exact Mass 402.240631
PSA 88.51000
LogP 1.77
Vapour Pressure 0.0±3.5 mmHg at 25°C
Index of Refraction 1.535
InChIKey OHXPGWPVLFPUSM-KLRNGDHRSA-N
SMILES CC(CCC(=O)O)C1CCC2C3C(=O)CC4CC(=O)CCC4(C)C3CC(=O)C12C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
FZ2300000
CHEMICAL NAME :
5-beta-Cholan-24-oic acid, 3,7,12-trioxo-
CAS REGISTRY NUMBER :
81-23-2
BEILSTEIN REFERENCE NO. :
3226734
LAST UPDATED :
199701
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C24-H34-O5
MOLECULAR WEIGHT :
402.58

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 116,154,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo, Japan) Volume(issue)/page/year: 6,495,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intramuscular
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. (Berlin, Ger.) V.110-253, 1925-66. For publisher information, see NSAPCC. Volume(issue)/page/year: 222,244,1954
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
3100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,857,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1620 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 116,154,1958
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1492 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - lacrimation Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - changes in structure or function of salivary glands
REFERENCE :
JJPAAZ Japanese Journal of Pharmacology. (Japanese Pharmacological Soc., c/o Dept. of Pharmacology, Faculty of Medicine, Kyoto Univ., Sakyo-ku, Kyoto 606, Japan) V.1- 1951- Volume(issue)/page/year: 22,235,1972 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 80397 No. of Facilities: 68 (estimated) No. of Industries: 1 No. of Occupations: 6 No. of Employees: 2770 (estimated)

 Safety Information

Hazard Codes C
Safety Phrases S24/25
RIDADR NONH for all modes of transport
WGK Germany 2
RTECS FZ2300000

 Synthetic Route

 Dehydrocholic acidBioassay

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Name: Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
Source: NCGC
External Id: SNCA-p-activity-luciferase
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01
Name: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen
Source: NCGC
Target: N/A
External Id: SMAD3201
Name: uHTS identification of cystic fibrosis induced NFkb Inhibitors in a fluoresence assay
Source: Burnham Center for Chemical Genomics
Target: cystic fibrosis transmembrane conductance regulator [Homo sapiens]
External Id: SBCCG-A764-CF-PAF-Primary-Assay
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ant...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_ANT_FLUO8_1536_1X%INH PRUN
Name: qHTS for Inhibitors of TGF-b
Source: NCGC
Target: Smad3 [Homo sapiens]
External Id: SMAD3101
Name: Primary qHTS for inhibitors of NSP2Pro chikungunya virus (CHIKV)
Source: NCGC
External Id: APP-Toga-CHIKV-nsp2-p
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 Synonyms

3,7,12-trioxo-5β-cholanic acid
EINECS 201-335-7
(5β,20R)-3,7,12-Trioxocholan-24-oic acid
3,7,12-Triketo-5b-cholanic Acid
3,7,12-Trioxo-5b-cholan-24-oic Acid
MFCD00066410
3,7,12-trioxo-5beta-cholanic acid
(5b)-3,7,12-Trioxocholan-24-oic Acid
3,7,12-Trioxocholan-24-oic acid
Dehydrocholic acid
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