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Chemical Entities of Biological Interest Ontology
Last uploaded:
January 1, 2025
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| Preferred Name | ivabradine hydrochloride | |
| Synonyms |
ivabradine ivabradine monohydrochloride Corlanor Procoralan 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) |
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| Definitions |
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. |
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| ID |
http://purl.obolibrary.org/obo/CHEBI_85969 |
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| charge |
0
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| database_cross_reference |
PMID:25706659 PMID:25982136 PMID:25968495 Reaxys:9681567 PMID:25953938 Wikipedia:Ivabradine PMID:25346368 PMID:25911606 PMID:25809454 PMID:25656911 PMID:25179314 PMID:25240447 KEGG:D08095 PMID:25700807 PMID:25158669 PMID:25801408 PMID:25986146 PMID:25926678 PMID:25350985 PMID:25733317 PMID:25687888 PMID:25636072 CAS:148849-67-6 PMID:25839989
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|
| 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.
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|
| formula |
C27H37ClN2O5
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| has part | ||
| has role | ||
| has_exact_synonym |
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)
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| has_obo_namespace |
chebi_ontology
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| has_related_synonym |
ivabradine ivabradine monohydrochloride Corlanor Procoralan
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|
| id |
CHEBI:85969
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| in_subset | ||
| 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
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| inchikey |
HLUKNZUABFFNQS-ZMBIFBSDSA-N
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|
| label |
ivabradine hydrochloride
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|
| mass |
505.04600
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|
| monoisotopicmass |
504.23910
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|
| notation |
CHEBI:85969
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| prefLabel |
ivabradine hydrochloride
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|
| smiles |
Cl.COc1cc2C[C@H](CN(C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)c2cc1OC
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| treeView | ||
| subClassOf |
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