loading...| Preferred Name |
rapacuronium |
|
| Synonyms |
C37H61BrN2O4 1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5-(acetyloxy)-2,15-dimethyl-4-(piperidin-1-yl)-14-(propanoyloxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1-(prop-2-en-1-yl)piperidin-1-ium bromide |
|
| ID |
http://purl.obolibrary.org/obo/dinto_DB04834 |
|
| CASRN |
156137-99-4 |
|
| DBBrand |
raplon |
|
| DBSynonym |
rapacuronium bromide |
|
| Definition |
Rapacuronium was withdrawn in 2001 in many countries due to risk of fatal bronchospasm. |
|
| InChI |
InChI=1S/C37H61N2O4.BrH/c1-6-20-39(21-12-9-13-22-39)32-24-30-28-15-14-27-23-33(42-26(3)40)31(38-18-10-8-11-19-38)25-37(27,5)29(28)16-17-36(30,4)35(32)43-34(41)7-2;/h6,27-33,35H,1,7-25H2,2-5H3;1H/q+1;/p-1/t27-,28+,29-,30-,31-,32-,33-,35-,36-,37-;/m0./s1 |
|
| InChIKey |
InChIKey=LVQTUXZKLGXYIU-GWSNJHLMSA-M |
|
| label |
rapacuronium |
|
| prefixIRI |
obo2:dinto_DB04834 |
|
| prefLabel |
rapacuronium |
|
| SMILES |
[Br-].[H][C@@]12C[C@@H]([C@H](OC(=O)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](OC(C)=O)[C@H](C[C@]12C)N1CCCCC1)[N+]1(CC=C)CCCCC1 |
|
| Synonym |
C37H61BrN2O4 1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5-(acetyloxy)-2,15-dimethyl-4-(piperidin-1-yl)-14-(propanoyloxy)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1-(prop-2-en-1-yl)piperidin-1-ium bromide |
|
| xref |
PubChem Substance:46506932 ChemSpider:4470889 PharmGKB:PA451227 PubChem Compound:5311398 |
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| subClassOf |