pancuronium
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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.
Term info
Label
pancuronium
Synonyms
- 3alpha,17beta-diacetoxy-2beta,16beta-bis(1-methylpiperidinium-1-yl)-5alpha-androstane
- Pancuronium
database cross reference
- PMID:22486886 (Europe PMC)
- PMID:24827571 (Europe PMC)
- PMID:24985148 (Europe PMC)
- PMID:29368335 (Europe PMC)
- PMID:6196640 (Europe PMC)
- Wikipedia:Pancuronium
- Drug_Central:2052 (DrugCentral)
- DrugBank:DB01337
- HMDB:HMDB0015430
- KEGG:C07551
- Reaxys:1696212 (Reaxys)
Subsets
3_STAR
IUPAC NAME
3alpha,17beta-diacetoxy-2beta,16beta-bis(1-methylpiperidinium-1-yl)-5alpha-androstane
[
IUPAC
]
charge
+2
formula
C35H60N2O4
has alternative id
CHEBI:406486
has obo namespace
chebi_ontology
id
CHEBI:7907
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
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
Term relations
Subclass of:
- steroid ester
- acetate ester
- has role some nicotinic antagonist
- has role some muscle relaxant
- has role some cholinergic antagonist
Related from: