|
|
Substance Name: Deoxycholic acid [USAN:INN]
RN: 83-44-3
UNII: 005990WHZZ
InChIKey: KXGVEGMKQFWNSR-LLQZFEROSA-N
Note
- A bile acid formed by bacterial action from cholate. It is usually conjugated with glycine or taurine. Deoxycholic acid acts as a detergent to solubilize fats for intestinal absorption, is reabsorbed itself, and is used as a choleretic and detergent.
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
- Cholagogues and Choleretics
- Gastrointestinal Agents
- 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
Results Name
- Deoxycholic acid [USAN:INN]
Name of Substance
- Deoxycholic acid
- Deoxycholic acid [USAN:INN]
- Desoxycholic acid [NF]
MeSH Heading
- Deoxycholic acid
Synonyms
- 17-beta-(1-Methyl-3-carboxypropyl)-etiocholane-3-alpha,12-alpha-diol
- 3,12-Dihydroxycholan-24-oic acid, (3alpha,5beta,12alpha)-
- 3,12-Dihydroxycholanic acid
- 3-alpha,12-alpha-Dihydroxy-5-beta-cholanoic acid
- 3-alpha,12-alpha-Dihydroxycholansaeure
- 3-alpha,12-alpha-Dihydroxycholansaeure [German]
- 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid
- 3alpha,12alpha-Dihydroxy-5beta-cholanic acid
- 4-10-00-01608 (Beilstein Handbook Reference)
- 5-beta-Deoxycholic acid
- 5beta-Cholan-24-oic acid, 3alpha,12alpha-dihydroxy-
- 7alpha-Deoxycholic acid
- ATX 101
- ATX-101
- ATX101
- BRN 3219882
- CCRIS 1627
- Cholan-24-oic, 3,12-dihydroxy-(3alpha,5beta,12alpha)-
- Choleic acid
- Cholerebic
- Cholic acid, deoxy-
- Cholorebic
- Degalol
- Deoxy cholic acid
- Deoxycholatic acid
- Deoxycholic acid
- Desoxycholic acid
- Desoxycholsaeure
- Desoxycholsaeure [German]
- Dihydroxycholanoic acid
- Droxolan
- EINECS 201-478-5
- HSDB 293
- Kybella
- l7-beta-(1-Methyl-3-carboxypropyl)-etiocholane-3-alpha,12-alpha-diol
- NSC 8797
- Pyrochol
- Septochol
- UNII-005990WHZZ
Systematic Names
- 3-alpha,12-alpha-Dihydroxy-5-beta-cholan-24-oic acid
- 5-beta-Cholan-24-oic acid, 3-alpha,12-alpha-dihydroxy-
- 5beta-Cholan-24-oic acid, 3alpha,12alpha-dihydroxy-
- Cholan-24-oic acid, 3,12-dihydroxy-, (3-alpha,5-beta,12-alpha)-
- Cholan-24-oic acid, 3,12-dihydroxy-, (3alpha,5beta,12alpha)-
- Deoxycholic acid
Superlist Name
- Deoxycholic acid
Registry Numbers
CAS Registry Number
- 83-44-3
FDA UNII
- 005990WHZZ
Other Registry Number
- 728917-93-9
Related Registry Numbers
- 302-95-4 (mono-hydrochloride salt))
- 71888-65-8 (magnesium (2:1) salt)
System Generated Number
- 0000083443
Structure Descriptors
InChI
InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1InChIKey
KXGVEGMKQFWNSR-LLQZFEROSA-NSmiles
C[C@H](CCC(=O)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 130mg/kg (130mg/kg) | Arzneimittel-Forschung. Drug Research. Vol. 20, Pg. 323, 1970. | |
mouse | LD50 | oral | 1gm/kg (1000mg/kg) | Nara Igaku Zasshi. Journal of the Nara Medical Association. Vol. 33, Pg. 71, 1982. | |
rabbit | LDLo | intravenous | 2gm/kg (2000mg/kg) | Zeitschrift fuer die Gesamte Experimentelle Medizin. Vol. 52, Pg. 779, 1926. | |
rat | LD50 | oral | 1gm/kg (1000mg/kg) | BEHAVIORAL: FOOD INTAKE (ANIMAL) | Nara Igaku Zasshi. Journal of the Nara Medical Association. Vol. 33, Pg. 71, 1982. |
Physical Properties
Physical Property | Value | Units | Temp (deg C) | Source |
---|---|---|---|---|
Melting Point | 177 | deg C | EXP | |
log P (octanol-water) | 3.5 | (none) | EXP | |
Water Solubility | 43.6 | 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.