Preferred Name |
vecuronium bromide |
|
Synonyms |
(2beta,3alpha,5alpha,16beta,17beta)-3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane bromide vecuronium bromide 1-(3alpha,17beta-Dihydroxy-2beta-piperidino-5alpha-androstan-16beta,5alpha-yl)-1-methylpiperidinium bromide, diacetate bromuro de vecuronio vecuronii bromidum 1-[3alpha,17beta-bis(acetoxy)-2beta-(1-piperidinyl)-5alpha-androstan-16beta-yl]-1-methylpiperidinium bromide bromure de vecuronium |
|
Definitions |
The organic bromide salt of a 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidinino- and 16beta-N-methylpiperidinium substituents. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_9940 |
|
charge |
0 |
|
database_cross_reference |
KEGG:D00767 PMID:17667569 PMID:21394728 PMID:23615407 Reaxys:7164568 DrugBank:DB01339 Beilstein:7164568 PMID:2889244 Wikipedia:Vecuronium_bromide CAS:50700-72-6 Patent:CN101843593 |
|
definition |
The organic bromide salt of a 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidinino- and 16beta-N-methylpiperidinium substituents. |
|
formula |
C34H57BrN2O4 C34H57N2O4.Br |
|
has part | ||
has_exact_synonym |
(2beta,3alpha,5alpha,16beta,17beta)-3,17-diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane bromide |
|
has_functional_parent | ||
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 bromuro de vecuronio vecuronii bromidum 1-[3alpha,17beta-bis(acetoxy)-2beta-(1-piperidinyl)-5alpha-androstan-16beta-yl]-1-methylpiperidinium bromide bromure de vecuronium |
|
id |
CHEBI:9940 |
|
in_subset | ||
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 |
|
label |
vecuronium bromide |
|
mass |
637.73100 |
|
monoisotopicmass |
636.35017 |
|
notation |
CHEBI:9940 |
|
prefLabel |
vecuronium bromide |
|
RO_0000087 | ||
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 |
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subClassOf |