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
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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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1959))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
1071 isocarboxazid
Synonyms Click here for help
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
Search Google for chemical match using the InChIKey XKFPYPQQHFEXRZ-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey XKFPYPQQHFEXRZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey XKFPYPQQHFEXRZ-UHFFFAOYSA-N
Wikipedia Isocarboxazid