| 2D Structure | |
| CID | 31401 |
| Target | GPBAR1 , KCNMA1 , KCNMB1 , KCNMB2 , KCNMB4 , LRRC26 , NR1H4 , NR3C1 , PF3D7_1311800 , SLC10A1 , WEE1 |
| IUPAC Name | (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-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 |
| InChI | InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20+,22+,23+,24-/m1/s1 |
| InChI Key | RUDATBOHQWOJDD-UZVSRGJWSA-N |
| Canonical SMILES | CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C |
| Isomeric SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C |
| Molecular Formula | C24H40O4 |
| Molecular Weight | 392.6 |
| synonyms | ['URSODEOXYCHOLIC ACID', 'ursodiol', '128-13-2', 'Actigall', 'UDCA', 'Ursodesoxycholic acid', 'Urso Forte', 'Litursol', 'Solutrat', 'Ursobilin', 'Ursodamor', 'Arsacol', 'Deursil', 'Lyeton', 'Ursacol', 'Peptarom', 'Urso DS', '3alpha,7beta-Dihydroxy-5beta-cholan-24-oic acid', 'Acido ursodeoxicolico', 'Urso 250', 'Ursocholic acid, deoxy-', '3-alpha,7-beta-Dioxycholanic acid', '7-beta-Hydroxylithocholic acid', 'Ursonorm', 'Acido ursodeossicolico', '3-alpha,7-beta-Dihydroxycholanic acid', 'Acide ursodesoxycholique', 'Acidum ursodeoxycholicum', '3-alpha,7-beta-Dihydroxy-5-beta-cholanoic acid', 'Acido ursodeoxicolico [INN-Spanish]', 'Acidum ursodeoxycholicum [INN-Latin]', 'Acide ursodesoxycholique [INN-French]', 'CCRIS 5502', 'NSC 683769', '(3alpha,5beta,7beta)-3,7-dihydroxycholan-24-oic acid', 'EINECS 204-879-3', 'NSC 657950', 'UNII-724L30Y2QR', 'BRN 3219888', 'CHEBI:9907', 'acide ursodeoxycholique', '724L30Y2QR', 'Ursodiol [USAN:USP]', 'NSC-683769', 'Ursacholic Acid', '17-beta-(1-Methyl-3-carboxypropyl)etiocholane-3-alpha,7-beta-diol', 'Deoxyursocholic Acid', 'DTXSID6023731', 'Cholan-24-oic acid, 3,7-dihydroxy-, (3alpha,5beta,7beta)-', 'EC 204-879-3', '4-10-00-01604 (Beilstein Handbook Reference)', '5-beta-Cholan-24-oic acid, 3-alpha,7-beta-dihydroxy-', 'Ursodiol (USAN:USP)', 'Cholan-24-oic acid, 3,7-dihydroxy-, (3-alpha,5-beta,7-beta)-', 'URSODIOL (USP-RS)', 'URSODIOL [USP-RS]', 'URSODIOL (USP MONOGRAPH)', 'URSODIOL [USP MONOGRAPH]', 'Acido ursodeoxicolico (INN-Spanish)', 'URSODEOXYCHOLIC ACID (MART.)', 'URSODEOXYCHOLIC ACID [MART.]', 'Acidum ursodeoxycholicum (INN-Latin)', 'Acide ursodesoxycholique (INN-French)', '3 alpha,7 beta Dihydroxy 5 beta cholan 24 oic Acid', 'Acid, Ursacholic', 'URSODEOXYCHOLIC ACID (EP IMPURITY)', 'URSODEOXYCHOLIC ACID [EP IMPURITY]', 'URSODEOXYCHOLIC ACID (EP MONOGRAPH)', 'URSODEOXYCHOLIC ACID [EP MONOGRAPH]', 'Acid, Deoxyursocholic', 'Acid, Ursodeoxycholic', '3 alpha,7 beta-Dihydroxy-5 beta-cholan-24-oic Acid', 'Usodiol', 'NSC657950', 'NSC683769', 'Ursodiol 200 mg', 'Ursodiol 400 mg', 'Reltone 200 mg', 'Reltone 400 mg', 'URUSA', 'acido ursodesossicolico', 'acidum ursodesoxycholicum', 'DTXCID003731', 'Ursodeoxycholic Acid (Ursodiol)', 'A05AA02', '3alpha,7beta-DIHYDROXY-5B-CHOLAN-24-OIC ACID', '204-879-3', 'ursodeoxycholate', 'Ursofalk', 'Ursolvan', 'UrSO', 'Delursan', 'Destolit', 'Ursochol', 'Cholit-ursan', 'Ursosan', 'Ursodeoxycholicacid', 'MFCD00003680', 'UDCS', '(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-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', 'Ursodeoxycholic acid [INN]', 'CHEMBL1551', 'MLS000028461', 'Ursodiol [USAN]', 'Antigall', 'SMR000058403', 'Urosiol', 'Cholan-24-oic acid, 3,7-dihydroxy-, (3.alpha.,5.beta.,7.beta.)-', 'Ursodexycholic Acid', 'Acido ursodeossicolico [Italian]', '7beta-Hydroxylithocholic acid', 'Actigall (TN)', 'Ursodiol (USP)', 'Urso (TN)', 'SR-01000737091', 'IU5', '5beta-Cholanic Acid-3alpha,7beta-diol', 'Ursodexycholate', 'Paptarom', 'Udiliv', 'Ursodesoxycholic acid (UDCA)', 'Desol', 'Urdes', 'Urosdesoxycholate', '5beta-Cholan-24-oic acid-3alpha,7beta-diol', 'Ursodeoxycholoc acid', 'Urosdesoxycholic acid', '3alpha,7beta-Dihydroxy-5beta-cholanic acid', 'URSODIOL [MI]', 'Ursodiol (Actigal Urso)', 'URSODIOL [VANDF]', 'Prestwick0_000958', 'Prestwick1_000958', 'Prestwick2_000958', 'Prestwick3_000958', 'U0030', '7A-Hydroxylithocholic acid', 'SCHEMBL27200', 'BSPBio_000956', 'cid_31401', 'MLS001066373', 'MLS002548885', 'SPBio_003105', 'Ursodeoxycholic acid, >=99%', 'URSODIOL [ORANGE BOOK]', 'BPBio1_001052', 'GTPL7104', '7.beta.-Hydroxylithocholic acid', 'BDBM53721', '(3alpha,5beta,7beta,8xi)-3,7-dihydroxycholan-24-oic acid', 'GLXC-06706', 'HMS1570P18', 'HMS2097P18', 'HMS2233L14', 'HMS3259A13', 'HMS3714P18', 'Ursodeoxycholic acid (JP18/INN)', 'URSODEOXYCHOLIC ACID [JAN]', '3alpha,7beta-dihydroxycholanic acid', '3a,7b-dihydroxy-5b-cholan-24-oate', 'HB4645', 'LMST04010033', 's1643', 'URSODEOXYCHOLIC ACID [WHO-DD]', '5A-Cholan-24-oic acid-3A,7A-diol', 'AKOS015955898', 'CCG-220958', 'CS-1932', 'DB01586', 'FU09676', 'KS-5243', 'NC00487', 'SMP2_000012', '3.alpha.,7.beta.-Dihydroxycholanic acid', '3A,7A-Dihydroxy-5A-holan-24-oic acid', '3a,7b-dihydroxy-5b-cholan-24-oic acid', 'NCGC00179363-01', 'NCGC00179363-12', '(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid', 'AC-18919', 'CAS#128-13-2', 'CPD000058403', 'HY-13771', 'NCI60_028904', 'AB00513977', 'NS00003715', '(3a,5b,7b)-3,7-dihydroxy-cholan-24-oate', '3alpha, 7beta-dihydroxy-5beta-cholanoic acid', 'C07880', 'D00734', 'EN300-373707', '(3a,5b,7b)-3,7-dihydroxy-cholan-24-oic acid', 'AB00513977-09', 'AB00513977_10', 'Q241374', '3.alpha.,7.beta.-Dihydroxy-5.beta.-cholanic acid', 'SR-01000737091-3', 'SR-01000737091-4', 'BRD-K15697815-001-15-4', 'BRD-K15697815-001-16-2', 'UDCA;Ursodiol;3a,7b-Dihydroxy-5b-cholan-24-oic acid', '3.alpha.,7.beta.-Dihydroxy-5.beta.-cholan-24-oic acid', 'Z2588039022', '3.ALPHA.,7.BETA.-DIHYDROXY-5B-CHOLAN-24-OIC ACID', '5.beta.-Cholan-24-oic acid, 3.alpha.,7.beta.-dihydroxy-', 'Ursodiol, United States Pharmacopeia (USP) Reference Standard', 'Ursodeoxycholic acid, British Pharmacopoeia (BP) Reference Standard', 'Ursodeoxycholic acid, European Pharmacopoeia (EP) Reference Standard', '17.beta.-(1-Methyl-3-carboxypropyl)etiocholane-3.alpha.,7.beta.-diol', '3,7-Dihydroxycholan-24-oic acid-, (3.alpha.,5.beta.,7.beta.)- #', 'Ursodeoxycholic acid, 500 mug/mL in methanol, certified reference material', 'Ursodiol, Pharmaceutical Secondary Standard; Certified Reference Material', 'Ursodeoxycholic acid for system suitability, European Pharmacopoeia (EP) Reference Standard', '(4R)-4-[(1R,3aS,3bR,4S,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid', '(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid', '(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-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]pentanoicacid', '(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-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]valeric acid', '108609-27-4'] |
From Pubchem