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CHEBI:175551 - O-Desmethylverapamil (D-702)

ChEBI IDCHEBI:175551
ChEBI NameO-Desmethylverapamil (D-702)
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SubmitterMetaboLights
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FormulaC26H36N2O4
Net Charge0
Average Mass440.584
Monoisotopic Mass440.26751
SMILESCOc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1O
InChIInChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-11-24(31-5)25(17-21)32-6)13-7-14-28(3)15-12-20-8-10-23(30-4)22(29)16-20/h8-11,16-17,19,29H,7,12-15H2,1-6H3
InChIKeyOAAPYTCHFIIVON-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
O-Desmethylverapamil (D-702) (CHEBI:175551) is a benzenes (CHEBI:22712)
O-Desmethylverapamil (D-702) (CHEBI:175551) is a organic amino compound (CHEBI:50047)
IUPAC Name 
2-(3,4-dimethoxyphenyl)-5-[2-(3-hydroxy-4-methoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
Manual XrefsDatabases
35032779ChemSpider
HMDB0013961HMDB