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CHEBI:8231 - Pipecuronium bromide

ChEBI IDCHEBI:8231
ChEBI NamePipecuronium bromide
Stars
Last Modified6 March 2017
DownloadsMolfile
Formula2Br.C35H62N4O4
Net Charge0
Average Mass762.713
Monoisotopic Mass760.31378
SMILES[Br-].[Br-].[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@@H](OC(C)=O)[C@@H](N5CC[N+](C)(C)CC5)C[C@@]34[H])[C@@]1(C)C[C@H](N1CC[N+](C)(C)CC1)[C@@H](OC(C)=O)C2
InChIInChI=1S/C35H62N4O4.2BrH/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36;;/h26-33H,9-23H2,1-8H3;2*1H/q+2;;/p-2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-;;/m0../s1
InChIKeyTXWBOBJCRVVBJF-YTGGZNJNSA-L
ChEBI Ontology
Outgoing Relation(s)
Pipecuronium bromide (CHEBI:8231) is a steroid ester (CHEBI:47880)
Synonyms  Source
Pipecuronium bromideKEGG COMPOUND
ArduanKEGG COMPOUND
Manual XrefsDatabases
D00764KEGG DRUG
Registry NumbersSources
CAS:52212-02-9KEGG COMPOUND