chempirical

Delorazepam

C15H10Cl2N2OCAS 2894-67-9305.16 g/mol

Open in Covalent MOL file
OHNClClN
Aryl halideImine

Properties

Molecular formula
C15H10Cl2N2O
Molar mass
305.16 g/mol
Exact mass
304.0170 Da
Melting point
199–201 °C
logP
4.43Crippen estimate
Polar surface area
45.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
2894-67-9
SMILES
OC1=Nc2ccc(Cl)cc2C(c2ccccc2Cl)=NC1
InChIKey
CHIFCDOIPRCHCF-UHFFFAOYSA-N
InChI
InChI=1S/C15H10Cl2N2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)

Weigh it out

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

Names and synonyms

15 names · show all
  • 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-chlorophenyl)-1,3-dihydro-
  • 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(o-chlorophenyl)-1,3-dihydro-
  • 7-Chloro-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
  • Ro 5-3027
  • 7-Chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2(1H)-one
  • 7-Chloro-1,3-dihydro-5-(2′-chlorophenyl)-2H-1,4-benzodiazepin-2-one
  • 7-Chloro-5-(o-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
  • Chlordemethyldiazepam
  • 7-Chloro-1,3-dihydro-5-(2-chlorophenyl)-2H-1,4-benzodiazepin-2-one
  • 2′-Chloronordiazepam
  • Chlordesmethyldiazepam
  • RV 12165
  • Chlorodesmethyldiazepam
  • NSC 169895
  • 7-Chloro-5-(2-chlorophenyl)-1H-1,4-benzodiazepin-2(3H)-one

Work with Delorazepam

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

Desalkylflurazepam2886-65-976 % similar Phenazepam51753-57-273 % similar Clonazepam1622-61-365 % similar 2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide14405-03-958 % similar Lorazepam846-49-156 % similar 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione4547-02-852 % similar 1,3-Dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one2898-08-051 % similar Chlorodiazepam2894-68-050 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook