chempirical

Demoxepam

C15H11ClN2O2CAS 963-39-3286.72 g/mol

Open in Covalent MOL file
O−N+ClHNO
Aryl halide

Properties

Molecular formula
C15H11ClN2O2
Molar mass
286.72 g/mol
Exact mass
286.0509 Da
Melting point
235–236 °C (decomposes)
logP
3.29Crippen estimate
Polar surface area
58.7 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
963-39-3
SMILES
[O-][N+]1=C(c2ccccc2)c2cc(Cl)ccc2N=C(O)C1
InChIKey
GGRWZBVSUZZMKS-UHFFFAOYSA-N
InChI
InChI=1S/C15H11ClN2O2/c16-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)18(20)9-14(19)17-13/h1-8H,9H2,(H,17,19)

Weigh it out

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

Names and synonyms

10 names
  • 2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-phenyl-, 4-oxide
  • Ro 5-2092
  • 7-Chloro-2,3-dihydro-5-phenyl-1H-1,4-benzodiazepin-2-one 4-oxide
  • 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one 4-oxide
  • 7-Chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one 4-oxide
  • Chlordiazepoxide lactam
  • 5-Phenyl-7-chloro-3H-1,4-benzodiazepin-2(1H)-one 4-oxide
  • NSC 46007
  • NSC 169898
  • NSC 46077

Work with Demoxepam

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

2-Chloroacetamido-5-chlorobenzophenone4016-85-754 % similar Chlordiazepoxide58-25-353 % similar Chlordiazepoxide hydrochloride438-41-550 % similar Delorazepam2894-67-947 % similar 2-Chloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]acetamide14405-03-945 % similar Desalkylflurazepam2886-65-945 % similar 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione4547-02-844 % similar Nitrazepam146-22-543 % similar

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

Same formula

4'-Hydroxydesmethyldiazepam17270-12-1 Oxazepam604-75-1

Elsewhere

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