Link to this page
The Drug-Drug Interactions Ontology
Last uploaded:
February 11, 2016
Jump to:
| Preferred Name | rocuronium bromide | |
| Synonyms |
C32H53BrN2O4 C32H53N2O4.Br 1-Allyl-1-(3alpha,17beta-dihydroxy-2beta-morpholino-5alpha-androstan-16beta-yl)pyrrolidinium bromide, 17-acetate rocuronium bromide |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_8885 |
|
| Definition |
The bromide salt of a 5alpha androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents.
|
|
| has role | ||
| InChI |
InChI=1S/C32H53N2O4.BrH/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;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1
|
|
| InChIKey |
InChIKey=OYTJKRAYGYRUJK-FMCCZJBLSA-M
|
|
| label |
rocuronium bromide
|
|
| prefixIRI |
obo2:CHEBI_8885
|
|
| prefLabel |
rocuronium bromide
|
|
| SMILES |
[Br-].[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 |
C32H53BrN2O4 C32H53N2O4.Br 1-Allyl-1-(3alpha,17beta-dihydroxy-2beta-morpholino-5alpha-androstan-16beta-yl)pyrrolidinium bromide, 17-acetate rocuronium bromide
|
|
| xref |
CiteXplore:17667569 ChEMBL:774599 KEGG DRUG:D00765 DrugBank:119302-91-9 CASRN:119302-91-9 DrugBank:DB00728 Beilstein:7161858
|
|
| subClassOf |
Add comment
| Delete | Subject | Author | Type | Created |
|---|---|---|---|---|
| No notes to display |
Create mapping