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CHEBI:7514 - neostigmine
| Formula | C12H19N2O2 |
| Net Charge | +1 |
| Average Mass | 223.296 |
| Monoisotopic Mass | 223.14410 |
| SMILES | CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1 |
| InChI | InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5/h6-9H,1-5H3/q+1 |
| InChIKey | ALWKGYPQUAPLQC-UHFFFAOYSA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Role: | EC 3.1.1.7 (acetylcholinesterase) inhibitor An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid. |
| Application: | antidote to curare poisoning A role borne by a molecule that acts to counteract or neutralize the deleterious effects of curare. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| neostigmine (CHEBI:7514) has role antidote to curare poisoning (CHEBI:74530) |
| neostigmine (CHEBI:7514) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) |
| neostigmine (CHEBI:7514) is a quaternary ammonium ion (CHEBI:35267) |
| Incoming Relation(s) |
| neostigmine bromide (CHEBI:179557) has part neostigmine (CHEBI:7514) |
| IUPAC Name |
|---|
| 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium |
| Synonyms | Source |
|---|---|
| Eustigmin | ChemIDplus |
| Eustigmine | ChemIDplus |
| Prostigmine | ChemIDplus |
| Vagostigmine | ChemIDplus |
| m-Trimethylammoniumphenyldimethylcarbamate | ChemIDplus |
| (m-Hydroxyphenyl)trimethylammonium dimethylcarbamate | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| C07258 | KEGG COMPOUND |
| D08261 | KEGG DRUG |
| DB01400 | DrugBank |
| HMDB0015472 | HMDB |
| Neostigmine | Wikipedia |
| LSM-5360 | LINCS |
| 1897 | DrugCentral |
| Citations |
|---|