MW: 392.58
CAS: 128-13-2
MDL NUMBER: MFCD00066760
IUPAC: 4-(5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0<2,7>.0<11,15>]heptadec-14-yl) pentanoic acid
Smiles: C1C2(C(C3C(CC4C(C3C1)(CCC(O)C4)C)O)CCC2C(CCC(=O)O)C)C
Found in bear bile
THERAPEUTIC CATEGORY: Anticholelithogenic
ACCEPTORS: 4
DONORS: 3
ROTATION BONDS: 7
N+O: 4
Chiral Centers: 10
LogP: 7.09
LogS: -5.79
LIPINSKI: 3
Synonyms: 7BETA-HYDROXYLITHOCHOLIC ACID;6BETA-CHOLANIC ACID-3A,7BETA-DIOL;(6-BETA)-CHOLANIC ACID-(3-ALPHA)-(7-BETA)-DIOL;3A,7B-DIHYDROXY-5B-CHOLAN-24-OIC ACID;3ALPHA, 7BETA-DIHYDROXY-5BETA-CHOLANIC ACID;3ALPHA,7BETA-DIHYDROXY-5BETA-CHOLAN-24-OIC ACID;3alpha,7beta-dihydroxy-6beta-cholan-24-oic acid;3ALPHA, 7BETA-DIOXYCHOLANIC ACID
CAS:128-13-2
MF:C24H40O4
MW:392.57
EINECS:204-879-3
Product Categories:Bile Acids;Biochemistry;Steroids;Intermediates & Fine Chemicals;Pharmaceuticals;API's Ursodeoxycholic acid
Chemical Properties: mp 203-204 C(lit.) alpha 60 (c=2, EtOH) refractive index 60.5 (C=2, EtOH) solubility ethanol: 50 mg/mL, clear Water Solubility practically insoluble Merck 14,9889
CAS DataBase Reference: 128-13-2(
CAS DataBase Reference: ) Xi Risk Statements 36/37/38 Safety Statements 24/25-36-26 WGK Germany 2 RTECS FZ2000000 F 10 3alpha,7beta-Dihydroxy-6beta-cholan-24-oic acid Ursodeoxycholic acid
Usage And Synthesis:
Chemical Properties: WHITE CRYSTALLINE POWDER UsageUsed as an anticholelithogenic Ursodeoxycholic acid
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