MW: 402.53
CAS: 81-23-2
TNP NUMBER: TNP00592
MDL NUMBER: MFCD03225547
IUPAC: 4-((1S,2S,7S,11S,10R,14R,15R)-2,15-dimethyl-5,9,16-trioxotetracyclo[8.7.0.0<2, 7>.0<11,15>]heptadec-14-yl)pentanoic acid
Smiles: C(=O)(O)CC[C@@H](C)[C@@H]1[C]2([C@H]([C@@H]3(C(C[C@H]4([C]([C@H]3(CC2=O))(CCC(C4)=O)C))=O))(CC1))C
THERAPEUTIC CATEGORY: Choleretic
ACCEPTORS: 5
DONORS: 1
ROTATION BONDS: 4
N+O: 5
Chiral Centers: 8
LogP: 4.32
LogS: -5.08
LIPINSKI: 4
Synonyms: TRIKETOCHOLANIC;KETOCHOLANIC ACID;DEHYDROCHOLIC ACID;5BETA-CHOLANIC ACID-3,5,12-TRIONE;5-BETA-CHOLANIC ACID-3,7,12-TRIONE;3,7,12-TRIOXO-5B-CHOLENE-24-OIC ACID;3,7,12-TRIOXO-5-BETA-CHOLAMIC ACID;3,7,12-TRIOXO-5BETA-CHOLAN-24-OIC ACID
CAS:81-23-2
MF:C24H34O5
MW:402.52
EINECS:201-335-7
Product Categories:Bile Acids;Biochemistry;Steroids Dehydrocholic acid
Chemical Properties: mp 238-240 C alpha 29 (c=2, dioxane) refractive index 30.5 (C=2, Dioxane) solubility ethanol: 10 mg/mL Merck 14,2868 BRN 3226734
CAS DataBase Reference: 81-23-2(
CAS DataBase Reference: ) NIST Chemistry ReferenceDehydrocholic acid(81-23-2) EPA Substance Registry SystemCholan-24-oic acid, 3,7,12-trioxo-, (5.beta.)-(81-23-2)
Safety Information: Safety Statements 24/25 WGK Germany 2 RTECS FZ2300000 3,7,12-Trioxo-5beta-cholan-24-oic acid Dehydrocholic acid
Usage And Synthesis:
Chemical Properties: white to off-white amorphous powder Dehydrocholic acid
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