flunitrazepam   

GtoPdb Ligand ID: 4193

Synonyms: Narcozep® | Rohypnol®
flunitrazepam is an approved drug
Compound class: Synthetic organic
Comment: A benzodiazepine with pharmacologic actions similar to those of diazepam. Due to illicit use of this drug importation has been banned by the US, but medicinal use is approved in other countries.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 75.81
Molecular weight 313.09
XLogP 2.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F
Isomeric SMILES CN1C(=O)CN=C(c2c1ccc(c2)[N+](=O)[O-])c1ccccc1F
InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
InChI Key PPTYJKAXVCCBDU-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes
IUPAC Name
5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H-1,4-benzodiazepin-2-one
International Nonproprietary Names
INN number INN
2951 flunitrazepam
Synonyms
Narcozep® | Rohypnol®
Database Links
CAS Registry No. 1622-62-4 (source: Scifinder)
ChEMBL Ligand CHEMBL13280
DrugBank Ligand DB01544
DrugCentral Ligand 1202
GtoPdb PubChem SID 178101010
PubChem CID 3380
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Wikipedia Flunitrazepam