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CHEBI:85969 - ivabradine hydrochloride

ChEBI IDCHEBI:85969
ChEBI Nameivabradine hydrochloride
Stars
DefinitionA hydrochloride obtained by combining ivabradine with one molar equivalent of hydrochloric acid. Used to treat patients with angina who have intolerance to beta blockers and/or heart failure.
Last Modified9 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC27H36N2O5.HCl
Net Charge0
Average Mass505.055
Monoisotopic Mass504.23910
SMILESCOc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2.Cl
InChIInChI=1S/C27H36N2O5.ClH/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30;/h12-14,16,21H,6-11,15,17H2,1-5H3;1H/t21-;/m1./s1
InChIKeyHLUKNZUABFFNQS-ZMBIFBSDSA-N
Wikipedia
Roles Classification
Application:
cardiotonic drug  A drug that has a strengthening effect on the heart or that can increase cardiac output.
ChEBI Ontology
Outgoing Relation(s)
ivabradine hydrochloride (CHEBI:85969) has part ivabradine(1+) (CHEBI:85972)
ivabradine hydrochloride (CHEBI:85969) has role cardiotonic drug (CHEBI:38147)
ivabradine hydrochloride (CHEBI:85969) is a hydrochloride (CHEBI:36807)
IUPAC Names 
N-{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}-3-(7,8-dimethoxy-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-N-methylpropan-1-aminium chloride
3-{3-[{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl}-7,8-dimethoxy-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one—hydrogen chloride (1/1)
Synonyms  Source
ivabradine monohydrochlorideChEBI
ivabradineChEBI
Brand Names  Source
ProcoralanChemIDplus
CorlanorChEBI
Manual XrefsDatabases
D08095KEGG DRUG
IvabradineWikipedia
Registry NumbersSources
Reaxys:9681567Reaxys
CAS:148849-67-6KEGG DRUG
CAS:148849-67-6ChemIDplus
Citations