CHEBI:85969 - ivabradine hydrochloride

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ChEBI Name ivabradine hydrochloride
ChEBI ID CHEBI:85969
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C27H37ClN2O5
Net Charge 0
Average Mass 505.04600
Monoisotopic Mass 504.23910
InChI InChI=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
InChIKey HLUKNZUABFFNQS-ZMBIFBSDSA-N
SMILES Cl.COc1cc2C[C@H](CN(C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)c2cc1OC
Roles Classification
Application(s): cardiotonic drug
A drug that has a strengthening effect on the heart or that can increase cardiac output.
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ChEBI Ontology
Outgoing 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
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)
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
Synonyms Sources
ivabradine ChEBI
ivabradine monohydrochloride ChEBI
Brand Names Sources
Corlanor ChEBI
Procoralan ChemIDplus
Manual Xrefs Databases
D08095 KEGG DRUG
Ivabradine Wikipedia
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Registry Numbers Types Sources
148849-67-6 CAS Registry Number KEGG DRUG
148849-67-6 CAS Registry Number ChemIDplus
9681567 Reaxys Registry Number Reaxys
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Last Modified
09 June 2015