| Phytochemical Name : Chenodeoxycholic acid |
| PCNDIDC0109 |
| Pubchem CID : 10133 |
| Molecular formula: C24H40O4 |
| Canonical SMILES : CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C |
Synonymes : chenodeoxycholic acid|Chenodiol|474-25-9|Chenix|Chenic acid|Cdca|Chenodeoxycholate|Chenodesoxycholic acid|Gallodesoxycholic acid|Chendol|Anthropodeoxycholic acid|Anthropodesoxycholic acid|Chenofalk|Anthropododesoxycholic acid|Chenodesoxycholsaeure|Chenodiol [USAN]|Chenocol|Chenossil|Cholanorm|Fluibil|Henohol|Xenbilox|Chenique Acid|Chenocholic acid|3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid|Acido chenodeoxicholico|3alpha,7alpha-Dihydroxy-5beta-cholanic acid|Chenodesoxycholsaeure [German]|Acide chenodeoxycholique|7-alpha-Hydroxylithocholic acid|Acidum chenodeoxycholicum|7alpha-hydroxylithocholic acid|Acide chenodeoxycholique [INN-French]|Acido chenodeoxicholico [INN-Spanish]|Acidum chenodeoxycholicum [INN-Latin]|Chendeoxycholic Acid|3-alpha,7-alpha-Dihydroxycholanic acid|CCRIS 2195|EINECS 207-481-8|3-alpha,7-alpha-Dihydroxycholansaeure [German]|3-alpha,7-alpha-Dihydroxycholansaeure|UNII-0GEI24LG0J|NSC 657949|0GEI24LG0J|Chenodeoxycholic acid [INN]|3-alpha,7-alpha-Dihydroxy-5-beta-cholan-24-oic acid|(4R)-4-[(3R,5S,7R,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|DTXSID2020260|CHEBI:16755|Cholan-24-oic acid, 3,7-dihydroxy-, (3alpha,5beta,7alpha)-|Chenodiol (USAN)|Cholan-24-oic acid, 3,7-dihydroxy-, (3a,5b,7a)-|NSC-657949|NSC-757798|(3alpha,5beta,7alpha)-3,7-dihydroxycholan-24-oic acid|5-beta-Cholan-24-oic acid, 3-alpha,7-alpha-dihydroxy-|(3alpha,5beta,7alpha,8xi)-3,7-dihydroxycholan-24-oic acid|Cholan-24-oic acid, 3,7-dihydroxy-, (3-alpha,5-beta,7-alpha)-|EC 207-481-8|DTXCID40260|(3beta,7beta,8xi,9xi,14xi,17alpha)-3,7-dihydroxycholan-24-oic acid|Cholan-24-oic acid, 3,7-dihydroxy-, (3.alpha.,5.beta.,7.alpha.)-|Chenocedon|3-alpha,7-alpha-dihydroxy-5beta-cholanic acid|Chendal|Chenodex|Chenorm|Hekbilin|Kebilis|MFCD00064142|NSC657949|NCGC00016387-02|(R)-4-((3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid|CAS-474-25-9|JN3|chenodeoxycholic-acid|(3-alpha,5-beta,7-alpha)-3,7-Dihydroxycholan-24-oic acid|(+)-chenodeoxycholate|CHENODIOL [MI]|Prestwick0_000285|Prestwick1_000285|Prestwick2_000285|Prestwick3_000285|Spectrum5_002009|CHENIX (TN)|CHENODIOL [VANDF]|(+)-chenodeoxycholic acid|bmse000908|D03ZTE|D0Y1RT|7a-Hydroxy-desoxycholsaeure|BIDD:PXR0056|SCHEMBL25055|BSPBio_000190|GTPL608|MLS002154253|3a,7a-dihydroxy-5b-cholanate|SPBio_002409|3,7-Dihydroxy-5-Cholanicacid|BPBio1_000210|CHEMBL240597|Chenodeoxycholic acid, >=97%|CHENODIOL [ORANGE BOOK]|7.alpha.-Hydroxylithocholic acid|BDBM21674|Chenodeoxycholic Acid, Free Acid|3a,7a-dihydroxy-5b-cholanic acid|HMS1568J12|HMS2095J12|HMS2234I22|HMS3712J12|Chenodeoxycholic acid (JP16/INN)|Chenodeoxycholic acid (JP17/INN)|CHENODEOXYCHOLIC ACID [JAN]|Tox21_110412|Tox21_200491|3a,7a-dihydroxy-5b-cholan-24-oate|HSCI1_000210|LMST04010032|CHENODEOXYCHOLIC ACID [MART.]|AKOS024280614|CHENODEOXYCHOLIC ACID [WHO-DD]|CCG-220285|CS-0834|DB06777|LS-7259|5beta-Cholanic acid-3alpha,7alpha-diol|SMP1_000064|3.alpha.,7.alpha.-Dihydroxycholansaeure|3a,7a-dihydroxy-5b,14a,17b-cholanate|3a,7a-dihydroxy-5b-cholan-24-oic acid|NCGC00142400-03|NCGC00142400-04|NCGC00142400-08|NCGC00258045-01|(4R)-4-((1S,2S,7S,11S,5R,9R,10R,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo [8.7.0.0<2,7>.0<11,15>]heptadec-14-yl)pentanoic acid|24404-86-2|3.alpha.,7.alpha.-Dihydroxycholanic acid|AS-13636|HY-76847|SMR000857194|CHENODEOXYCHOLIC ACID [EP IMPURITY]|CHENODEOXYCHOLIC ACID [EP MONOGRAPH]|3a,7a-dihydroxy-5b,14a,17b-cholanic acid|AB00513822|S1843|(3a,5b,7a)-3,7-dihydroxy-cholan-24-oate|3alpha, 7alpha-dihydroxy-5beta-cholanoic acid|EN300-75328|3alpha, 7alpha,-dihydroxy-5beta-cholanic acid|C-2900|C02528|D00163|(3a,5b,7a)-3,7-dihydroxy-cholan-24-oic acid|AB00513822-06|AB00513822_07|A827222|Q419028|3.alpha.,7.alpha.-Dihydroxy-5.beta.-cholanic acid|Dihydroxy-3.alpha.,7.alpha.(5.beta.)Cholanic acid|Leadiant (formerly Chenodeoxycholic acid sigma-tau)|(3|A,5|A,7|A)-3,7-Dihydroxycholan-24-oic Acid|3.alpha.,7.alpha.-Dihydroxy-5.beta.-cholanoic acid|BRD-K18135438-001-16-7|URSODEOXYCHOLIC ACID IMPURITY A [EP IMPURITY]|0DBBBC66-0CFA-4DB9-97F4-5B1492756A02|Z1172235745|3.alpha.,7.alpha.-Dihydroxy-5.beta.-cholan-24-oic acid|5.beta.-Cholan-24-oic acid, 3.alpha.,7.alpha.-dihydroxy-|3,7-Dihydroxycholan-24-oic acid, (3.alpha.,5.beta.,7.alpha.)- #|Chenodeoxycholic acid, 500 mug/mL in methanol, certified reference material|Chenodeoxycholic acid, European Pharmacopoeia (EP) Reference Standard|Cholan-24-oic acid, 3,7-dihydroxy-, (3-.alpha., 5-.beta., 7-.alpha.)-|Cholan-24-oic acid, 3,7-dihydroxy-, (3-alpha,5-beta,7-alpha)- (9CI)|CHOLAN-24-OIC ACID, 3,7-DIHYDROXY-, (3.ALPHA.,5.BETA.,7.ALPHA.)|(4R)-4-[(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11aR)-4,7-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]pentanoic acid|(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0?,?.0??,??]heptadecan-14-yl]pentanoic acid|(4R)-4-[(1S,2S,5R,7S,9R,10R,11S,14R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid|(4R)-4-[(3R,5S,7R,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 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 3.140 |
| Log Po/w (XLOGP3) : 3.080 |
| Log Po/w (WLOGP) : 4.480 |
| Log Po/w (MLOGP) : 3.880 |
| Log Po/w (SILICOS-IT) : 3.420 |
| Consensus Log Po/w : 3.600 |

