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CHEBI:77741 - (S)-verapamil hydrochloride

ChEBI IDCHEBI:77741
ChEBI Name(S)-verapamil hydrochloride
Stars
ASCII Name(S)-verapamil hydrochloride
DefinitionA hydrochloride salt resulting from the reaction of equimolar amounts of (S)-verapamil and hydrogen chloride.
Last Modified18 March 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaC27H38N2O4.HCl
Net Charge0
Average Mass491.072
Monoisotopic Mass490.25984
SMILESCOc1ccc(CCN(C)CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl
InChIInChI=1S/C27H38N2O4.ClH/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;1H/t27-;/m0./s1
InChIKeyDOQPXTMNIUCOSY-YCBFMBTMSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-verapamil hydrochloride (CHEBI:77741) is a hydrochloride (CHEBI:36807)
(S)-verapamil hydrochloride (CHEBI:77741) is enantiomer of dexverapamil hydrochloride (CHEBI:77739)
Incoming Relation(s)
verapamil hydrochloride (CHEBI:53188) has part (S)-verapamil hydrochloride (CHEBI:77741)
dexverapamil hydrochloride (CHEBI:77739) is enantiomer of (S)-verapamil hydrochloride (CHEBI:77741)
IUPAC Names 
(4S)-4-cyano-4-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N,5-dimethylhexan-1-aminium chloride
(2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile hydrochloride
Synonyms  Source
(S)-verapamil.HClChEBI
(S)-verapamil HClChEBI