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7-Chloro-1,3-dihydro-1-methyl-3-hydroxy-5-(2-fluorophenyl)-2H-1,4-benzodiazepin-2-one

HCID 40344
NotesReactions
Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
52391-89-6
Standard SMILES
CN1C(=O)C(O)N=C(c2ccccc2F)c2cc(Cl)ccc21
InChIKey
RMFYWNFETXNTIQ-UHFFFAOYSA-N
Molecular formula
C16H12ClFN2O2
Average molar mass
318.73 g/mol
Monoisotopic mass
318.0571335

Overview

Flutemazepam is a benzodiazepine.

Names & identifiers

Preferred name
7-Chloro-1,3-dihydro-1-methyl-3-hydroxy-5-(2-fluorophenyl)-2H-1,4-benzodiazepin-2-one
IUPAC
7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-3H-1,4-benzodiazepin-2-one
English name
7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-2H-1,4-benzodiazepin-2-one
Molecular formula
C16H12ClFN2O2
Molecular weight
318.73

Names & synonyms

7-Chloro-1,3-dihydro-1-methyl-3-hydroxy-5-(2-fluorophenyl)-2H-1,4-benzodiazepin-2-oneRefChem:141067FLUTEMAZEPAM52391-89-6Flutemazepam [INN]Sas-6467-chloro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-3H-1,4-benzodiazepin-2-one7-Chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-2H-1,4-benzodiazepin-2-oneJ8U5694BCW7-Chloro-5-(o-fluorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-2H-1,4-benzodiazepin-2-oneFlutemazepamumFlutemazepamum [Latin]
Show more names
1-Methyl-3-hydroxy-5-(2-fluorophenyl)-7-chloro-1H-1,4-benzodiazepine-2(3H)-one1,3-Dihydro-7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-methyl-2H-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-7-chloro-5-(2-fluoro-phenyl)-3-hydroxy-1-methyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
EINECS 257-892-1Sas 646BRN 0688457UNII-J8U5694BCWFLUTEMAZEPAM [MART.]FLUTEMAZEPAM [WHO-DD]CHEMBL291770orb2815649

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
52.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
22
Formal charge
0
Complexity
473

Experimental & physicochemical properties

LogP2.09

Physicochemical properties

Melting point
162 · 162-164 °C(Solv: cyclohexane (110-82-7))
Boiling point
550.3 · 550.3±50.0 °C(Predicted)
Density
1.4 · 1.40±0.1 g/cm3(Predicted)
pka
11.58 · 11.58±0.40(Predicted)
FDA UNII
8 U5694BCW · J8U5694BCW

Chemistry & industry

Applications · 1 item

UsesFlutemazepam-13C,d3, is the labeled analogue of Flutemazepam (F599410), an analogue of Temazepam (T017200), that has hypnotic, sedative, amnesiac, anxiolytic, anticonvulsant and skeletal muscle relaxant properties. Flutemazepam has been shown to have similiar propertis to Temazepam, and it is found to be effective for the treatment of severe states of anxiety, panic attacks, and severe insomnia.

Suppliers9 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
Henan Bao Enluo International TradeCo.,LTD+86-17331933971 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
Wuhan Han Sheng New Material Technology Co.,Ltd+86-17798174412 · [email protected]

Additional notes

Related reactions

3 records
New reaction record
HRID 812692 reaction equation
HRID 812692As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1112095 reaction equation
HRID 1112095As reactantuspto-grants-1978_10
HRID 1389812 reaction equation
HRID 1389812As reactantuspto-grants-1981_01

Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
52391-89-6
PubChem CID
40344
DTXSID
DTXSID10866255
ChEMBL
CHEMBL291770
ChEBI
CHEBI:188885
UNII
J8U5694BCW
EC Number
257-892-1
Nikkaji
J69.319G

DefinitionChEBI: Flutemazepam is a benzodiazepine.