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vecuronium bromide

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The organic bromide salt of a 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidinino- and 16beta-N-methylpiperidinium substituents.

Term info

Label

vecuronium bromide

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

3_STAR

INN
vecuronium bromide [ KEGG_DRUG ]

INN
vecuronii bromidum [ ChemIDplus ]

INN
bromuro de vecuronio [ ChemIDplus ]

INN
bromure de vecuronium [ ChemIDplus ]

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

charge

0

formula

C34H57BrN2O4, C34H57N2O4.Br

has obo namespace

chebi_ontology

has related synonym

vecuronium bromide, 1-(3alpha,17beta-Dihydroxy-2beta-piperidino-5alpha-androstan-16beta,5alpha-yl)-1-methylpiperidinium bromide, diacetate, bromure de vecuronium, 1-[3alpha,17beta-bis(acetoxy)-2beta-(1-piperidinyl)-5alpha-androstan-16beta-yl]-1-methylpiperidinium bromide, vecuronii bromidum, bromuro de vecuronio

id

CHEBI:9940

inchi

InChI=1S/C34H57N2O4.BrH/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;1H/q+1;/p-1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-;/m0./s1

inchikey

VEPSYABRBFXYIB-PWXDFCLTSA-M

mass

637.73100

monoisotopicmass

636.35017

smiles

[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(C)CCCCC3)[C@@]1(C)C[C@@H]([C@H](C2)OC(C)=O)N1CCCCC1