Diazepam

C₁₆H₁₃ClN₂OCAS 439-14-5284.74 g/mol

Open in Covalent MOL file

Amide Aryl halide Imine Lactam

Properties

Molecular formula: C₁₆H₁₃ClN₂O
Molar mass: 284.74 g/mol
Exact mass: 284.0716 Da
Melting point: 132 °C
pKa: 3.4
Water solubility: 66 mg/L (25 °C)
logP: 3.15Crippen estimate
Polar surface area: 32.7 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed96.5% of notifiers
H311 Toxic in contact with skin77.6% of notifiers

Aggregated from 85 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P262, P264, P270, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P405, P501

Identifiers

CAS number

439-14-5

SMILES

CN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21

InChIKey

AAOVKJBEBIDNHE-UHFFFAOYSA-N

InChI

InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

177 names · show all

Trazepam
Diazepin
Tensium
2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-1-methyl-5-phenyl-
Dialar
7-Chloro-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
Wy 3467
Ro 5-2807
7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2(1H)-one
Methyldiazepinone
Noan
Saromet
Valium
Methyldiazepinone (pharmaceutical)
1-Methyl-5-phenyl-7-chloro-1,3-dihydro-1H-1,4-benzodiazepin-2-one
7-Chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepine
Duxen
Seduxen
Cercine
Faustan
1-Methyl-5-phenyl-7-chloro-1,3-dihydro-2H-1,4-benzodiazepin-2-one
7-Chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
LA 111
Apaurin
Apozepam
Atensine
Atilen
Bialzepam
Ceregulart
Eridan
Lembrol
Levium
Morosan
Paxate
Paxel
Relanium
Setonil
Stesolid
Stesolin
Tranimul
Vival
Vivol
Diacepan
Calmpose
Diapam
Calmocitene
Quievita
Ansiolisina
Valeo
Assival
Relaminal
Sibazon
Horizon
Sibazone
An-ding
Diazemuls
Sonacon
Umbrium
Diazepam-lipuro
Valrelease
Org 2447
Aliseum
Nellium
Dupin
Diapine
Pomin
Vatran
Notense
Lovium
Amiprol
Simasedan
Jinpanfan
Benzopin
Disopam
Caudel
Doval
Valitran
Armonil
Betapam
Paxum
Desconet
D-Pam
Nixtensyn
Arzepam
Calmod
Ortopsique
Diatran
Trankinon
Novazam
Nivalen
Apo-diazepam
Kratium 2
Dipaz
Drenian
Valaxona
Gubex
Ducene
Zepaxid
Ansiolin
Alboral
Diaquel
Placidox 2
Chuansuan
Propam
Winii
Gewacalm
Baogin
Reliver
Anxionil
Placidox 5
Azedipamin
Parzam
Vazen
Mandro
Desloneg
Anlin
Alupram
Dizac
Valiquid
Dialag
Diastat
Euphorin P
Tranquirit
Antenex
Placidox 10
Meval
Kratium
Diaceplex
Diapax
Plidan
Gradual
Nerozen
Sipam
Best
Centrazepam
Diazem
Dipezona
Paceum
Mentalium
Radizepam
DZP
Psychopax
Britazepam
Tranquil
Reposepan
Pax
Pacitran
Euphorin
Evacalm
Elcion CR
Neurolytril
Sedapam
Eurosan
Servizepam
Q-Pam
Tranquo-tablinen
Mandrozep
Dipam
Tranquase
Solis
Unisedil
Lamra
Valium injectable
Tranquo-puren
NSC 77518
7-Chloro-1-methyl-5-phenyl-1,3-dihydrobenzo[e][1,4]diazepin-2-one
NSC 169897
Horizon (pharmaceutical)
Compaz
7-Chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one
Relium
Pamlin
7-Chloro-1-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
7-Chloro-1-methyl-5-phenyl-1H-1,4-benzodiazepin-2(3H)-one
Apzepam
Hexalid
Stedon

Work with Diazepam

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Chlorodiazepam2894-68-077 % similar Nimetazepam2011-67-865 % similar Temazepam846-50-459 % similar Clobazam22316-47-851 % similar 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione4547-02-848 % similar Flurazepam hydrochloride1172-18-546 % similar Alprazolam28981-97-744 % similar 4'-Hydroxydesmethyldiazepam17270-12-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Mazindol22232-71-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook