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CHEBI:7516 - neostigmine methyl sulfate

ChEBI IDCHEBI:7516
ChEBI Nameneostigmine methyl sulfate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC12H19N2O2.CH3O4S
Net Charge0
Average Mass334.394
Monoisotopic Mass334.11986
SMILESCN(C)C(=O)Oc1cccc([N+](C)(C)C)c1.COS(=O)(=O)[O-]
InChIInChI=1S/C12H19N2O2.CH4O4S/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKeyOSZNNLWOYWAHSS-UHFFFAOYSA-M
Roles Classification
Biological Role:
EC 3.1.1.8 (cholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8).
ChEBI Ontology
Outgoing Relation(s)
neostigmine methyl sulfate (CHEBI:7516) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
neostigmine methyl sulfate (CHEBI:7516) is a arylammonium sulfate salt (CHEBI:38018)
Synonyms  Source
Neostigmine methylsulfateKEGG COMPOUND
Prostigmin (TN)KEGG COMPOUND
Manual XrefsDatabases
C08200KEGG COMPOUND
D00998KEGG DRUG
Registry NumbersSources
CAS:51-60-5KEGG COMPOUND