BioModels Ontology

Last uploaded: April 3, 2012
Preferred Name

rocuronium bromide
Synonyms
Definitions

The bromide salt of a 5alpha androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents.

ID

http://purl.obolibrary.org/obo/CHEBI_8885

alternative term

1-Allyl-1-(3alpha,17beta-dihydroxy-2beta-morpholino-5alpha-androstan-16beta-yl)pyrrolidinium bromide, 17-acetate

rocuronium bromide

[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

C32H53N2O4.Br

InChIKey=OYTJKRAYGYRUJK-FMCCZJBLSA-M

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

C32H53BrN2O4

definition

The bromide salt of a 5alpha androstane compound having 3alpha-hydroxy-, 17beta-acetoxy-, 2beta-morpholino- and 16beta-N-allyllyrrolidinium substituents.

has parent hydride

http://purl.obolibrary.org/obo/CHEBI_28859

has part

http://purl.obolibrary.org/obo/CHEBI_8884

has role

http://purl.obolibrary.org/obo/CHEBI_51372

label

rocuronium bromide

prefixIRI

CHEBI:8885

prefLabel

rocuronium bromide

subClassOf

http://purl.obolibrary.org/obo/CHEBI_48369

http://purl.obolibrary.org/obo/CHEBI_35273

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