OntologiesslmclassesCHEBI:7907   
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pancuroniumImported
http://purl.obolibrary.org/obo/CHEBI_7907

A steroid ester in which a 5alpha-androstane skeleton is C-3alpha- and C-17beta-disubstituted with acetoxy groups and 2beta- and 16beta-disubstituted with 1-methylpiperidinium-1-yl groups. It is a non-depolarizing curare-mimetic muscle relaxant.

Defined bychebi
Also appears indronobib
Exact Synonyms
3alpha,17beta-diacetoxy-2beta,16beta-bis(1-methylpiperidinium-1-yl)-5alpha-androstane
Pancuronium
class Information
charge

+2

formula

C35H60N2O4

has_alternative_id

CHEBI_406486chebi

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C35H60N2O4/c1-24(38)40-32-21-26-13-14-27-28(35(26,4)23-31(32)37(6)19-11-8-12-20-37)15-16-34(3)29(27)22-30(33(34)41-25(2)39)36(5)17-9-7-10-18-36/h26-33H,7-23H2,1-6H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1

inchikey

GVEAYVLWDAFXET-XGHATYIMSA-N

in_subset

3_STAR

mass

572.86190

monoisotopicmass

572.45421

smiles

[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(C)CCCCC3)[C@@]1(C)C[C@@H]([C@H](C2)OC(C)=O)[N+]1(C)CCCCC1

class Relations