isocarboxazid   Click here for help

GtoPdb Ligand ID: 7204

Synonyms: Marplan®
Approved drug
isocarboxazid is an approved drug (FDA (1959))
Compound class: Synthetic organic
Comment: Isocarboxazid is a monoamine oxidase inhibitor (MAOI).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 67.16
Molecular weight 231.1
XLogP 2.39
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES Cc1onc(c1)C(=O)NNCc1ccccc1
Isomeric SMILES Cc1onc(c1)C(=O)NNCc1ccccc1
InChI InChI=1S/C12H13N3O2/c1-9-7-11(15-17-9)12(16)14-13-8-10-5-3-2-4-6-10/h2-7,13H,8H2,1H3,(H,14,16)
InChI Key XKFPYPQQHFEXRZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1959))
IUPAC Name Click here for help
N'-benzyl-5-methyl-1,2-oxazole-3-carbohydrazide
International Nonproprietary Names Click here for help
INN number INN
1071 isocarboxazid
Synonyms Click here for help
Marplan®
Database Links Click here for help
CAS Registry No. 59-63-2
ChEMBL Ligand CHEMBL1201168
DrugBank Ligand DB01247
DrugCentral Ligand 1490
GtoPdb PubChem SID 178103779
PubChem CID 3759
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Wikipedia Isocarboxazid