ezetimibe (zetia) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

409.4252

ALogP

4.89

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: O[C@@H](CC[C@@H]1[C@H](N(C1=O)C2=CC=C(F)C=C2)C3=CC=C(O)C=C3)C4=CC=C(F)C=C4
  • InChIKey: OLNTVTPDXPETLC-XPWALMASSA-N
    1S/C24H21F2NO3/c25-17-5-1-15(2-6-17)22(29)14-13-21-23(16-3-11-20(28)12-4-16)27(24(21)30)19-9-7-18(26)8-10-19/h1-12,21-23,28-29H,13-14H2/t21-,22+,23-/m1/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1138   ChEMBL
ezetimibe

EOR26LQQ24   NCATS
ezetimibe *

Ezetimibe   Wikipedia

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