Terminology Service for NFDI4Health
JSON

vecuronium

Go to external page http://purl.obolibrary.org/obo/CHEBI_9939

A 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidino- and 16beta-N-methylpiperidinium substituents.

Term info

Label

vecuronium

Synonyms
  • (2beta,3alpha,5alpha,16beta,17beta)-3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane
database cross reference
Subsets

3_STAR

IUPAC NAME
(2beta,3alpha,5alpha,16beta,17beta)-3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane [ IUPAC ]

charge

+1

formula

C34H57N2O4

has obo namespace

chebi_ontology

id

CHEBI:9939

inchi

InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1

inchikey

BGSZAXLLHYERSY-XQIGCQGXSA-N

mass

557.82740

monoisotopicmass

557.43128

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)N1CCCCC1