chempirical

Nitrazepam

C15H11N3O3CAS 146-22-5281.27 g/mol

Open in Covalent MOL file
ON+O−NONH
ImineNitro

Properties

Molecular formula
C15H11N3O3
Molar mass
281.27 g/mol
Exact mass
281.0800 Da
Melting point
225 °C
logP
3.03Crippen estimate
Polar surface area
88.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 49 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
146-22-5
SMILES
O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1)=NCC(O)=N2
InChIKey
KJONHKAYOJNZEC-UHFFFAOYSA-N
InChI
InChI=1S/C15H11N3O3/c19-14-9-16-15(10-4-2-1-3-5-10)12-8-11(18(20)21)6-7-13(12)17-14/h1-8H,9H2,(H,17,19)

Weigh it out

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

Names and synonyms

53 names · show all
  • 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-nitro-5-phenyl-
  • 1,3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepin-2-one
  • LA 1
  • Ro 4-5360
  • Ro 5-3059
  • Mogadon
  • Mogadone
  • 7-Nitro-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
  • Benzalin
  • Eunoctin
  • 1,3-Dihydro-7-nitro-5-phenyl-2H-1,4-benzodiazepine-2-one
  • 7-Nitro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
  • 2,3-Dihydro-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one
  • Mogadan
  • Epibenzalin
  • Epinelbon
  • Hipnax
  • Hipsal
  • Sonebon
  • Neozepam
  • Radedorm
  • Somitran
  • Paxisyn
  • Pelson
  • Sonnolin
  • Calsmin
  • Megadon
  • Nelbon
  • Nitrenpax
  • Relact
  • Nitravet
  • Dormicum
  • Dormin 5
  • N-Desmethylnimetazepam
  • Dormicum (anticonvulsant)
  • Remnos
  • Nitrados
  • Ipersed
  • Insomin
  • Somnased
  • Eatan
  • Surem
  • NSC 58775
  • Noctesed
  • Somnibel
  • Somnite
  • Neuchlonic
  • Unisomnia
  • Imeson
  • Xiaoxipan
  • Nitrosun
  • Nipam
  • 7-Nitro-5-phenyl-1H-1,4-benzodiazepin-2(3H)-one

Work with Nitrazepam

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

Clonazepam1622-61-375 % similar N-(2-Benzoyl-4-nitrophenyl)-2-bromoacetamide2011-70-362 % similar 1,3-Dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one2898-08-059 % similar Nimetazepam2011-67-855 % similar Delorazepam2894-67-945 % similar 2-Chloro-5-nitrobenzanilide22978-25-244 % similar 2-Amino-5-nitrobenzophenone1775-95-744 % similar 2-Chloro-5-nitrobenzophenone34052-37-444 % similar

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

Same formula

(S)-2'-Oxo-1',2',5,7-tetrahydrospiro(cyclopenta(b)pyridine-6,3'-pyrrolo(2,3-b)-bipyridine)-3-carboxylic acid1375541-21-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook