loading...| Preferred Name |
ivabradine |
|
| Synonyms |
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 S 16257-2 S 16257 S-16257-2 S-16257 ivabradine |
|
| 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 |
|
| charge |
0 |
|
| database_cross_reference |
Drug_Central:3312 PMID:25706659 PMID:25982136 PMID:25968495 KEGG:D07165 PMID:25953938 Wikipedia:Ivabradine PMID:25346368 PMID:25911606 PMID:25809454 PMID:25656911 Reaxys:8366413 PMID:25179314 PMID:25240447 PMID:25700807 PMID:25158669 PMID:25801408 CAS:155974-00-8 PMID:25986146 PMID:25926678 PMID:25350985 PMID:25733317 PMID:25687888 PMID:25636072 PMID:25839989 |
|
| 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 |
|
| has role | ||
| 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 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
S 16257-2 S 16257 S-16257-2 S-16257 ivabradine |
|
| 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 |
|
| smiles |
COc1cc2C[C@H](CN(C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)c2cc1OC |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_36785 http://purl.obolibrary.org/obo/CHEBI_35676 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_36785 http://purl.obolibrary.org/obo/CHEBI_35676 |