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

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

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ChEBI ID	CHEBI:175552
ChEBI Name	O-Desmethylverapamil (D-703)
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H36N2O4
Net Charge	0
Average Mass	440.584
Monoisotopic Mass	440.26751
SMILES	COc1cc(C(C#N)(CCCN(C)CCc2ccc(OC)c(OC)c2)C(C)C)ccc1O
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

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
HMDB0014246	HMDB
543555	ChemSpider

Registry Numbers	Sources
CAS:67018-80-8	ChemIDplus