The Drug Ontology

Last uploaded: March 3, 2024
Preferred Name

neostigmine

Synonyms

3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium

m-Trimethylammoniumphenyldimethylcarbamate

Vagostigmine

Prostigmine

(m-Hydroxyphenyl)trimethylammonium dimethylcarbamate

3-Trimethylammoniumphenyl N,N-dimethylcarbamate

Eustigmin

Eustigmine

Definitions

A quaternary ammonium ion comprising an anilinium ion core having three methyl substituents on the aniline nitrogen, and a 3-[(dimethylcarbamoyl)oxy] substituent at position 3. It is a parasympathomimetic which acts as a reversible acetylcholinesterase inhibitor.

ID

http://purl.obolibrary.org/obo/CHEBI_7514

charge

+1

database_cross_reference

LINCS:LSM-5360

DrugBank:DB01400

Wikipedia:Neostigmine

Reaxys:3615946

Beilstein:3615946

PMID:8584207

KEGG:D08261

Drug_Central:1897

HMDB:HMDB0015472

KEGG:C07258

CAS:59-99-4

PMID:7200780

definition

A quaternary ammonium ion comprising an anilinium ion core having three methyl substituents on the aniline nitrogen, and a 3-[(dimethylcarbamoyl)oxy] substituent at position 3. It is a parasympathomimetic which acts as a reversible acetylcholinesterase inhibitor.

formula

C12H19N2O2

has role

http://purl.obolibrary.org/obo/CHEBI_38462

http://purl.obolibrary.org/obo/CHEBI_74530

has_exact_synonym

3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium

has_obo_namespace

chebi_ontology

has_related_synonym

m-Trimethylammoniumphenyldimethylcarbamate

Vagostigmine

Prostigmine

(m-Hydroxyphenyl)trimethylammonium dimethylcarbamate

3-Trimethylammoniumphenyl N,N-dimethylcarbamate

Eustigmin

Eustigmine

has_RxCUI

7315

id

CHEBI:7514

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

label

neostigmine

Neostigmine

mass

223.29150

monoisotopicmass

223.14410

notation

CHEBI:7514

prefLabel

neostigmine

smiles

CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C

subClassOf

http://purl.obolibrary.org/obo/CHEBI_35267

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http://purl.obolibrary.org/obo/CHEBI_7514 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7514 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7514 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7514 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7514 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_7514 NIFSTD SAME_URI
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.092.877.674.666 RH-MESH LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.675.276.602 RH-MESH LOOM
http://purl.bioontology.org/ontology/ATC/N07AA01 ATC LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0027679 OCHV LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000147942 NDFRT LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000786943 PDQ LOOM
http://purl.bioontology.org/ontology/RCD/x02MR RCD LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C75024 NCIT LOOM
http://purl.bioontology.org/ontology/ATC/S01EB06 ATC LOOM
https://go.drugbank.com/drugs/DB01400 MDM LOOM
http://purl.obolibrary.org/obo/OMIT_0010416 OMIT LOOM
http://www.phoc.org.cn/pmo/class/PMO_00016072 PMAPP-PMO LOOM
http://purl.bioontology.org/ontology/NDDF/001703 NDDF LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#8572 OCHV LOOM
http://purl.bioontology.org/ontology/VANDF/4019856 VANDF LOOM
http://purl.jp/bio/4/id/200906020170265626 IOBC LOOM
http://purl.obolibrary.org/obo/MESH_D009388 BERO LOOM
http://stirdf.jst.go.jp/id/200907000402116447 IOBC LOOM
http://www.co-ode.org/ontologies/galen#Neostigmine GALEN LOOM
http://purl.obolibrary.org/obo/CHEBI_7514 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_7514 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_7514 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_7514 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_7514 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_7514 NIFSTD LOOM
http://purl.bioontology.org/ontology/SNMI/C-67130 SNMI LOOM
http://purl.bioontology.org/ontology/CSP/2268-8823 CRISP LOOM
http://ontology.apa.org/apaonto/termsonlyOUT%20(5).owl#Neostigmine APAONTO LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D009388 RH-MESH LOOM
http://purl.bioontology.org/ontology/LNC/MTHU007457 LOINC LOOM
http://scai.fraunhofer.de/AlzheimerOntology#neostigmine ADO LOOM
http://purl.bioontology.org/ontology/MESH/D009388 MESH LOOM
http://www.drugbank.ca/drugs/DB01400 FTC LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/373346001 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/LNC/LP19164-0 LOINC LOOM
http://purl.bioontology.org/ontology/RXNORM/7315 RXNORM LOOM
http://purl.obolibrary.org/obo/NCIT_C75024 BERO LOOM