CHEBI:6920 - Mibefradil

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Mibefradil
ChEBI ID CHEBI:6920
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formulae C29H38FN3O3
C29H38FN3O3
Net Charge 0
Average Mass 495.630
Monoisotopic Mass 495.28972
InChI InChI=1S/C29H38FN3O3/c1-20(2)28-23-12-11-22(30)18-21(23)13-14-29(28,36-27(34)19-35-4)15-17-33(3)16-7-10-26-31-24-8-5-6-9-25(24)32-26/h5-6,8-9,11-12,18,20,28H,7,10,13-17,19H2,1-4H3,(H,31,32)/t28-,29-/m0/s1
InChIKey HBNPJJILLOYFJU-VMPREFPWSA-N
SMILES COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C
ChEBI Ontology
Outgoing Mibefradil (CHEBI:6920) is a tetralins (CHEBI:36786)
Synonyms Sources
Mibefradil KEGG COMPOUND
mibefradil dihydrochloride DrugCentral
posicor DrugCentral
Ro 40-5967 DrugCentral
Manual Xrefs Databases
1797 DrugCentral
C07222 KEGG COMPOUND
D08217 KEGG DRUG
LSM-2192 LINCS
View more database links
Registry Number Type Source
116644-53-2 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017