NEOSTIGMINE

Search structure
Synonyms:
Status: Approved (2013)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N07AA01
UNII: 3982TWQ96G

Structure
InChI Key ALWKGYPQUAPLQC-UHFFFAOYSA-N
Smile 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

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H19N2O2+
Molecular Weight 223.3
AlogP 1.94
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 29.54
Molecular species None
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 7500-28300 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Headache 3 D006261 ClinicalTrials
Postoperative Nausea and Vomiting 3 D020250 ClinicalTrials
Burns 3 D002056 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Obesity, Morbid 2 D009767 ClinicalTrials
Pain 2 D010146 ClinicalTrials
Hypospadias 2 D007021 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 59-99-4
ChEBI 7514
ChEMBL CHEMBL278020
DrugBank DB01400
DrugCentral 1897
EPA CompTox DTXSID1023360
FDA SRS 3982TWQ96G
Human Metabolome Database HMDB0015472
Guide to Pharmacology 8993
KEGG C07258
PharmGKB PA450611
PubChem 4456
SureChEMBL SCHEMBL34419
ZINC ZINC000000001792
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