clonazepam   

GtoPdb Ligand ID: 6963

Synonyms: Klonopin® | Ro-5-4023 | Ro-54023
clonazepam is an approved drug (FDA (1975))
Compound class: Synthetic organic
Comment: Clonazepam belongs to the benzodiazepine group of drugs.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 84.6
Molecular weight 315.04
XLogP 2.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1Cl
Isomeric SMILES O=C1CN=C(c2c(N1)ccc(c2)[N+](=O)[O-])c1ccccc1Cl
InChI InChI=1S/C15H10ClN3O3/c16-12-4-2-1-3-10(12)15-11-7-9(19(21)22)5-6-13(11)18-14(20)8-17-15/h1-7H,8H2,(H,18,20)
InChI Key DGBIGWXXNGSACT-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1975))
IUPAC Name
5-(2-chlorophenyl)-7-nitro-1,3-dihydro-1,4-benzodiazepin-2-one
International Nonproprietary Names
INN number INN
2765 clonazepam
Synonyms
Klonopin® | Ro-5-4023 | Ro-54023
Comments
Clonazepam belongs to the benzodiazepine group of drugs.
Database Links
CAS Registry No. 1622-61-3
ChEMBL Ligand CHEMBL452
DrugBank Ligand DB01068
DrugCentral Ligand 703
GtoPdb PubChem SID 178103544
PubChem CID 2802
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Wikipedia Clonazepam