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36735-22-5 molecular structure
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7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepine-2-thione

ChemBase ID: 1367
Molecular Formular: C17H11ClF4N2S
Molecular Mass: 386.7942528
Monoisotopic Mass: 386.02675992
SMILES and InChIs

SMILES:
Clc1cc2c(N(CC(F)(F)F)C(=S)CN=C2c2c(F)cccc2)cc1
Canonical SMILES:
Clc1ccc2c(c1)C(=NCC(=S)N2CC(F)(F)F)c1ccccc1F
InChI:
InChI=1S/C17H11ClF4N2S/c18-10-5-6-14-12(7-10)16(11-3-1-2-4-13(11)19)23-8-15(25)24(14)9-17(20,21)22/h1-7H,8-9H2
InChIKey:
IKMPWMZBZSAONZ-UHFFFAOYSA-N

Cite this record

CBID:1367 http://www.chembase.cn/molecule-1367.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-1,4-benzodiazepine-2-thione
IUPAC Traditional name
quazepam
Brand Name
Cetrane
Doral
Dormalin
Oniria
Prosedar
Quazium
Selepam
Synonyms
Quazepamum [inn-latin]
Quazepam
CAS Number
36735-22-5
PubChem SID
160964827
46505952
PubChem CID
4999

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
DrugBank DB01589 external link
PubChem 4999 external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
Acid pKa 18.925508  H Acceptors
H Donor LogD (pH = 5.5) 5.0632186 
LogD (pH = 7.4) 5.0637474  Log P 5.0637546 
Molar Refractivity 93.4693 cm3 Polarizability 34.48161 Å3
Polar Surface Area 15.6 Å2 Rotatable Bonds
Lipinski's Rule of Five false 
Log P 4.76  LOG S -5.22 
Solubility (Water) 2.31e-03 g/l 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Hydrophobicity(logP)
4.03 [SANGSTER (1994)] expand Show data source

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB01589 external link
Item Information
Drug Groups illicit; approved
Description Quazepam is a drug which is a benzodiazepine derivative. It induces impairment of motor function and has hypnotic properties. Quazepam is used to treat insomnia.
Indication Used to treat insomnia.
Pharmacology Quazepam is a benzodiazepine derivative. The main pharmacological action of quazepam is the enhancement of the neurotransmitter, GABA at the GABAA receptor.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic.
Absorption Bioavailability is 29-35% following oral administration.
Half Life 39 hours
External Links
Wikipedia
Drugs.com

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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