Link to this page
The Drug-Drug Interactions Ontology
| Preferred Name | rocuronium | |
| Synonyms |
1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-14-(acetyloxy)-5-hydroxy-2,15-dimethyl-4-(morpholin-4-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1-(prop-2-en-1-yl)pyrrolidin-1-ium (2beta,3alpha,5alpha,16beta,17beta)-17-acetoxy-16-(1-allylpyrrolidinium-1-yl)-3-hydroxy-2-(morpholin-4-yl)androstane C32H53N2O4 |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_8884 |
|
| AHFScode |
12:20.00
|
|
| altId |
CHEBI:340257
|
|
| ATCCode |
M03AC09
|
|
| binds |
http://purl.obolibrary.org/obo/dinto_1970 http://purl.obolibrary.org/obo/dinto_2747 http://purl.obolibrary.org/obo/dinto_3887 |
|
| blocks |
http://purl.obolibrary.org/obo/dinto_2747 |
|
| CASRN |
119302-91-9
|
|
| DBBrand |
zemuron esmeron
|
|
| DBname |
rocuronium
|
|
| DBSynonym |
rocuronium bromide
|
|
| Definition |
A 5alpha androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents.
|
|
| has effect |
http://purl.obolibrary.org/obo/OAE_0000493 http://purl.obolibrary.org/obo/OAE_0000411 http://purl.obolibrary.org/obo/OAE_0000373 http://purl.obolibrary.org/obo/OAE_0000660 http://purl.obolibrary.org/obo/OAE_0000600 http://purl.obolibrary.org/obo/OAE_0000403 http://purl.obolibrary.org/obo/OAE_0000539 http://purl.obolibrary.org/obo/OAE_0000770 http://purl.obolibrary.org/obo/OAE_0000454 http://purl.obolibrary.org/obo/OAE_0000601 http://purl.obolibrary.org/obo/OAE_0000551 http://purl.obolibrary.org/obo/OAE_0000584 http://purl.obolibrary.org/obo/OAE_0000355 |
|
| has pharmacological target | ||
| has role | ||
| InChI |
InChI=1S/C32H53N2O4/c1-5-14-34(15-6-7-16-34)28-20-26-24-9-8-23-19-29(36)27(33-12-17-37-18-13-33)21-32(23,4)25(24)10-11-31(26,3)30(28)38-22(2)35/h5,23-30,36H,1,6-21H2,2-4H3/q+1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-/m0/s1
|
|
| InChIKey |
InChIKey=YXRDKMPIGHSVRX-OOJCLDBCSA-N
|
|
| inhibits | ||
| is substrate of | ||
| is transported by | ||
| label |
rocuronium
|
|
| may interact with |
http://purl.obolibrary.org/obo/dinto_DB01627 http://purl.obolibrary.org/obo/dinto_DB01190 http://purl.obolibrary.org/obo/dinto_DB00798 http://purl.obolibrary.org/obo/dinto_DB00955 http://purl.obolibrary.org/obo/dinto_DB00684 http://purl.obolibrary.org/obo/CHEBI_59662 |
|
| modulates |
http://purl.obolibrary.org/obo/dinto_2747 |
|
| prefixIRI |
obo2:CHEBI_8884
|
|
| prefLabel |
rocuronium
|
|
| SMILES |
[H][C@@]12C[C@@H]([C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])C[C@H](O)[C@H](C[C@]12C)N1CCOCC1)[N+]1(CC=C)CCCC1 [H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC(C)=O)[C@H](C[C@@]34[H])[N+]3(CCCC3)CC=C)[C@@]1(C)C[C@@H]([C@@H](O)C2)N1CCOCC1
|
|
| Synonym |
1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-14-(acetyloxy)-5-hydroxy-2,15-dimethyl-4-(morpholin-4-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl]-1-(prop-2-en-1-yl)pyrrolidin-1-ium (2beta,3alpha,5alpha,16beta,17beta)-17-acetoxy-16-(1-allylpyrrolidinium-1-yl)-3-hydroxy-2-(morpholin-4-yl)androstane C32H53N2O4
|
|
| xref |
PharmGKB:PA164754992 CiteXplore:17667569 PubChem Compound:441290 CASRN:143558-00-3 PubChem Substance:46506855 Wikipedia:Rocuronium ChEMBL:775195 Drugs.com:http://www.drugs.com/cdi/rocuronium.html IUPHAR:4003 ChEBI:8884 Wikipedia:http://en.wikipedia.org/wiki/Rocuronium Beilstein:7155288 DrugBank:DB00728 ChEMBL:11123992 National Drug Code Directory:0781-3220-75 KEGG COMPOUND:C07556 ChemSpider:390053 Guide To Pharmacology:4003 Drugs Product Database (DPD):2108208 RxList:http://www.rxlist.com/cgi/generic2/rocuronium.htm
|
|
| subClassOf |
| Delete | Subject | Author | Type | Created |
|---|---|---|---|---|
| No notes to display |