The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Id http://purl.obolibrary.org/obo/CHEBI_8884
http://purl.obolibrary.org/obo/CHEBI_8884
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
Type http://www.w3.org/2002/07/owl#Class

All Properties

prefLabel
rocuronium
label
rocuronium
DBSynonym
rocuronium bromide
ATCCode
M03AC09
Definition
A 5alpha androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents.
altId
CHEBI:340257
has effect
has pharmacological target
inhibits
type
has role
InChIKey
InChIKey=YXRDKMPIGHSVRX-OOJCLDBCSA-N
blocks
AHFScode
12:20.00
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
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CASRN
119302-91-9
prefixIRI
obo2:CHEBI_8884
is transported by
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
may interact with
DBname
rocuronium
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
DBBrand
zemuron
esmeron
subClassOf
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