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CHEBI:77737 - dexverapamil(1+)

ChEBI IDCHEBI:77737
ChEBI Namedexverapamil(1+)
Stars
DefinitionAn ammonium ion resulting from the protonation of the tertiary amino group of dexverapamil.
Last Modified18 March 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC27H39N2O4
Net Charge+1
Average Mass455.619
Monoisotopic Mass455.29043
SMILESCOc1ccc(CC[NH+](C)CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC
InChIInChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/p+1/t27-/m1/s1
InChIKeySGTNSNPWRIOYBX-HHHXNRCGSA-O
ChEBI Ontology
Outgoing Relation(s)
dexverapamil(1+) (CHEBI:77737) is a ammonium ion derivative (CHEBI:35274)
dexverapamil(1+) (CHEBI:77737) is conjugate acid of dexverapamil (CHEBI:77734)
dexverapamil(1+) (CHEBI:77737) is enantiomer of (S)-verapamil(1+) (CHEBI:77738)
Incoming Relation(s)
dexverapamil hydrochloride (CHEBI:77739) has part dexverapamil(1+) (CHEBI:77737)
dexverapamil (CHEBI:77734) is conjugate base of dexverapamil(1+) (CHEBI:77737)
(S)-verapamil(1+) (CHEBI:77738) is enantiomer of dexverapamil(1+) (CHEBI:77737)
IUPAC Name 
(4R)-4-cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexan-1-aminium
Synonym  Source
(R)-verapamil(1+)ChEBI