Pubchem ID | 222528 |
---|---|
CAS | 83-44-3 |
IUPAC name | (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid |
Synonyms | Cholerebic|Cholorebic|Choleic acid|Degalol|Deoxycholatic acid|Septochol|Droxolan|Pyrochol|Desoxycholsaeure|7alpha-Deoxycholic acid|Cholic acid, deoxy-|Dihydroxycholanoic acid |
Categories | Emulsifier |
SMILES | CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C |
InCheykey | 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/s1 |
Natural | YES |
E No. | - |
GHS Siginal | Warning |
ADI Value | 0-1.25 mg/kg bw |
Molecular weight | Hydrogen Bond Donor count | Hydrogen Bond Acceptor count | Rotatable bonds | Topological Polor Surface Area |
---|---|---|---|---|
392.58 | 3 | 4 | 4 | 77.8 |
Human Intestinal Absorption | Aqueous Solubility Level | Plasma Protein Binding Level | Blood Brain Barrier Penetration | CYP2DE Binding Level | Hepatotoxicity Level |
---|---|---|---|---|---|
Good Absorption | Low Solubility | Binder | Medium | Non - Inhibitor | Non Toxic |
Carcinogenicity | Developmental Toxicity | Mutagenicity (Ames) | Skin Irritancy | Skin Sensitization | Ocular Irritancy | Aerobic Biodegradability |
---|---|---|---|---|---|---|
Non-Carcinogen | Toxic | Non-Mutagen | Irritant | Irritant | Irritant | Degradable |