O-Desmethylverapamil (D-703) (CHEBI:175552)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	O-Desmethylverapamil (D-703)

ChEBI ID	CHEBI:175552

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

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Formula

C26H36N2O4

Net Charge

Average Mass

440.584

Monoisotopic Mass

440.26751

InChI

InChI=1S/C26H36N2O4/c1-19(2)26(18-27,21-9-10-22(29)24(17-21)31-5)13-7-14-28(3)15-12-20-8-11-23(30-4)25(16-20)32-6/h8-11,16-17,19,29H,7,12-15H2,1-6H3

InChIKey

WLKVZSXOMGNZLB-UHFFFAOYSA-N

SMILES

O(C=1C=C(C(C(C)C)(CCCN(CCC2=CC(OC)=C(OC)C=C2)C)C#N)C=CC1O)C

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	O-Desmethylverapamil (D-703) (CHEBI:175552) is a benzenes (CHEBI:22712) O-Desmethylverapamil (D-703) (CHEBI:175552) is a organic amino compound (CHEBI:50047)

IUPAC Name

5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-(4-hydroxy-3-methoxyphenyl)-2-propan-2-ylpentanenitrile

Registry Number	Type	Source
67018-80-8	CAS Registry Number	ChemIDplus