|
|
Substance Name: Chenodiol [USAN]
RN: 474-25-9
UNII: 0GEI24LG0J
InChIKey: RUDATBOHQWOJDD-BSWAIDMHSA-N
Note
- A bile acid, usually conjugated with either glycine or taurine. It acts as a detergent to solubilize fats for intestinal absorption and is reabsorbed by the small intestine. It is used as cholagogue, a choleretic laxative, and to prevent or dissolve gallstones.
Molecular Formula
- C24-H40-O4
Molecular Weight
- 392.576
- All
- Classifications
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
Classification Codes
- Anticholelithogenic
- Cathartics
- Drug / Therapeutic Agent
- Gastrointestinal Agents
- Human Data
- Mutation Data
- Reproductive Effect
- Tumor Data
* denotes mobile formatted website
Links to Resources
NLM Resources (File Locators)
Regulatory Agencies (Superlist Locators)
Other Resources (Internet Locators)
Search for this InChIKey on the Web
Names and Synonyms
Name of Substance
- Chenodeoxycholic acid
- Chenodeoxycholic acid [INN]
- Chenodiol [USAN]
MeSH Heading
- Chenodeoxycholic acid
Synonyms
- 3-alpha,7-alpha-Dihydroxy-5-beta-cholan-24-oic acid
- 3-alpha,7-alpha-Dihydroxycholanic acid
- 3-alpha,7-alpha-Dihydroxycholansaeure
- 3-alpha,7-alpha-Dihydroxycholansaeure [German]
- 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid
- 7-alpha-Hydroxylithocholic acid
- Acide chenodeoxycholique
- Acide chenodeoxycholique [INN-French]
- Acido chenodeoxicholico
- Acido chenodeoxicholico [INN-Spanish]
- Acidum chenodeoxycholicum
- Acidum chenodeoxycholicum [INN-Latin]
- Anthropodeoxycholic acid
- Anthropodesoxycholic acid
- Anthropododesoxycholic acid
- CCRIS 2195
- Chendol
- Chenic acid
- Chenix
- Chenodeoxycholic acid
- Chenodesoxycholic acid
- Chenodesoxycholsaeure
- Chenodesoxycholsaeure [German]
- Chenodiol
- EC 207-481-8
- EINECS 207-481-8
- Gallodesoxycholic acid
- NSC 657949
- UNII-0GEI24LG0J
- Xenbilox
Systematic Names
- 5-beta-Cholan-24-oic acid, 3-alpha,7-alpha-dihydroxy-
- Chenodeoxycholic acid
- Cholan-24-oic acid, 3,7-dihydroxy-, (3-alpha,5-beta,7-alpha)-
- Cholan-24-oic acid, 3,7-dihydroxy-, (3alpha,5beta,7alpha)-
Superlist Name
- Chenodiol
Registry Numbers
CAS Registry Number
- 474-25-9
FDA UNII
- 0GEI24LG0J
System Generated Number
- 0000474259
Structure Descriptors
InChI
InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1InChIKey
RUDATBOHQWOJDD-BSWAIDMHSA-NSmiles
C[C@H](CCC(=O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
dog | LD50 | oral | > 1gm/kg (1000mg/kg) | Drugs in Japan Vol. -, Pg. 397, 1990. | |
hamster | LD50 | oral | 500mg/kg (500mg/kg) | Drugs in Japan Vol. -, Pg. 464, 1995. | |
mouse | LD50 | intramuscular | > 1gm/kg (1000mg/kg) | Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 24, Pg. 1157, 1982. | |
mouse | LD50 | intraperitoneal | 86mg/kg (86mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 915, 1978. |
mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 323, 1970. | |
mouse | LD50 | oral | > 2gm/kg (2000mg/kg) | Drugs in Japan Vol. -, Pg. 464, 1995. | |
mouse | LD50 | subcutaneous | > 4gm/kg (4000mg/kg) | GASTROINTESTINAL: ULCERATION OR BLEEDING FROM SMALL INTESTINE SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Kiso to Rinsho. Clinical Report. Vol. 11, Pg. 2499, 1977. |
rat | LD50 | intramuscular | > 500mg/kg (500mg/kg) | Drugs in Japan Vol. -, Pg. 397, 1990. | |
rat | LD50 | intraperitoneal | 105mg/kg (105mg/kg) | GASTROINTESTINAL: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 915, 1978. |
rat | LD50 | intravenous | 106mg/kg (106mg/kg) | BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA | Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 915, 1978. |
rat | LD50 | oral | 4gm/kg (4000mg/kg) | GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) | Oyo Yakuri. Pharmacometrics. Vol. 15, Pg. 915, 1978. |
rat | LD50 | subcutaneous | > 4gm/kg (4000mg/kg) | BLOOD: CHANGES IN SPLEEN SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Kiso to Rinsho. Clinical Report. Vol. 11, Pg. 2499, 1977. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 119 | deg C | EXP | |
log P (octanol-water) | 4.15 | (none) | EXP | |
Water Solubility | 89.9 | mg/L | 20 | EXP |
Vapor Pressure | 3.00E-13 | mm Hg | 25 | EST |
Henry's Law Constant | 1.41E-11 | atm-m3/mole | 25 | EST |
Atmospheric OH Rate Constant | 5.28E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.