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Substance Name: Lithocholic acid
RN: 434-13-9
UNII: 5QU0I8393U
InChIKey: SMEROWZSTRWXGI-HVATVPOCSA-N
Note
- A bile acid formed from chenodeoxycholate by bacterial action, usually conjugated with glycine or taurine. It acts as a detergent to solubilize fats for absorption and is itself absorbed. It is used as cholagogue and choleretic.
Molecular Formula
- C24-H40-O3
Molecular Weight
- 376.577
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Names and Synonyms
Name of Substance
- Lithocholic acid
MeSH Heading
- Lithocholic acid
Synonyms
- (3-alpha,5-beta)-3-Hydroxycholan-24-oic acid
- 17-beta-(1-Methyl-3-carboxypropyl)ethiocholan-3-alpha-ol
- 17beta-(1-Methyl-3-carboxypropyl)etiocholan-3alpha-ol
- 3-alpha-Hydroxy-5-beta-cholanic acid
- 3-alpha-Hydroxycholanic acid
- 3-Hydroxycholan-24-oic acid
- 3alpha-Hydroxy-5beta-cholan-24-oic acid
- 3alpha-Hydroxy-5beta-cholanic acid
- 3alpha-Hydroxycholanic acid
- 4-10-00-00785 (Beilstein Handbook Reference)
- 5-beta-Cholanic acid, 3-alpha-hydroxy-
- 5beta-Cholan-24-oic acid, 3alpha-hydroxy-
- BRN 3217757
- CCRIS 363
- Cholan-24-oic acid, 3-hydroxy-, (3alpha,5beta)-
- EINECS 207-099-1
- HSDB 4113
- Lithocholic acid
- NCI-C03861
- NSC 657956
- UNII-5QU0I8393U
Systematic Names
- 5-beta-Cholan-24-oic acid, 3-alpha-hydroxy-
- Cholan-24-oic acid, 3-hydroxy-, (3-alpha,5-beta)-
- Cholan-24-oic acid, 3-hydroxy-, (3alpha,5beta)-
- Lithocholic acid
Superlist Name
- Lithocholic acid
Registry Numbers
CAS Registry Number
- 434-13-9
FDA UNII
- 5QU0I8393U
System Generated Number
- 0000434139
Structure Descriptors
InChI
InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1InChIKey
SMEROWZSTRWXGI-HVATVPOCSA-NSmiles
C[C@H](CCC(=O)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 3900mg/kg (3900mg/kg) | Progress Report for Contract No. NIH-NCI-E-C-72-3252, Submitted to the National Cancer Institute by Litton Bionetics, Inc. Vol. NCI-E-C-72-3252, Pg. 1973, |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 186 | deg C | EXP | |
| log P (octanol-water) | 6.190 | (none) | EST | |
| Water Solubility | 0.377 | mg/L | 20 | EXP |
| Vapor Pressure | 2.58E-11 | mm Hg | 25 | EST |
| Henry's Law Constant | 3.86E-10 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 4.38E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.