Preferred Name | ivabradine | |
Synonyms |
S 16257 S 16257-2 S-16257 S-16257-2 ivabradine 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 |
|
Definitions |
A member of the class of benzazepines that is 7,8-dimethoxy-1,3,4,5-tetrahydro-3-benzazepin-2-one in which the amide hydrogen is replaced by a [{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl} group. Used (as its hydrochloride salt) to treat patients with angina who have intolerance to beta blockers and/or heart failure. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_85966 |
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alternative label |
S 16257 S 16257-2 S-16257 S-16257-2 ivabradine 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 |
|
charge |
0 |
|
database_cross_reference |
PMID:25911606 PMID:25179314 PMID:25700807 PMID:25982136 PMID:25953938 PMID:25801408 Wikipedia:Ivabradine PMID:25240447 PMID:25926678 PMID:25706659 PMID:25346368 Drug_Central:3312 PMID:25809454 PMID:25687888 PMID:25733317 PMID:25839989 CAS:155974-00-8 PMID:25350985 PMID:25158669 PMID:25656911 PMID:25968495 PMID:25636072 KEGG:D07165 Reaxys:8366413 PMID:25986146 |
|
definition |
A member of the class of benzazepines that is 7,8-dimethoxy-1,3,4,5-tetrahydro-3-benzazepin-2-one in which the amide hydrogen is replaced by a [{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl} group. Used (as its hydrochloride salt) to treat patients with angina who have intolerance to beta blockers and/or heart failure. |
|
formula |
C27H36N2O5 |
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has exact synonym |
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 |
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has role | ||
has_obo_namespace |
chebi_ontology |
|
has_related_synonym |
S 16257 S 16257-2 S-16257 S-16257-2 ivabradine |
|
has_RxCUI |
1649480 |
|
id |
CHEBI:85966 |
|
in_subset | ||
inchi |
InChI=1S/C27H36N2O5/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/t21-/m1/s1 |
|
inchikey |
ACRHBAYQBXXRTO-OAQYLSRUSA-N |
|
is conjugate base of | ||
label |
ivabradine |
|
mass |
468.58510 |
|
monoisotopicmass |
468.26242 |
|
notation |
CHEBI:85966 |
|
prefLabel |
ivabradine |
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smiles |
COc1cc2C[C@H](CN(C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)c2cc1OC |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_36785 http://purl.obolibrary.org/obo/CHEBI_35676 |