CHEBI:7516 - neostigmine methyl sulfate

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ChEBI Name neostigmine methyl sulfate
ChEBI ID CHEBI:7516
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C12H19N2O2.CH3O4S
Net Charge 0
Average Mass 334.390
Monoisotopic Mass 334.11986
InChI InChI=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
InChIKey OSZNNLWOYWAHSS-UHFFFAOYSA-M
SMILES COS([O-])(=O)=O.CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C
Roles Classification
Biological Role(s): 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).
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ChEBI Ontology
Outgoing 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 Sources
Neostigmine methylsulfate KEGG COMPOUND
Prostigmin (TN) KEGG COMPOUND
Manual Xrefs Databases
C08200 KEGG COMPOUND
D00998 KEGG DRUG
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Registry Number Type Source
51-60-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014