chempirical

Estazolam

C16H11ClN4CAS 29975-16-4294.74 g/mol

Open in Covalent MOL file
ClNNNN
Aryl halideImine

Properties

Molecular formula
C16H11ClN4
Molar mass
294.74 g/mol
Exact mass
294.0672 Da
Melting point
228.5 °C
logP
3.27Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
29975-16-4
SMILES
Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2
InChIKey
CDCHDCWJMGXXRH-UHFFFAOYSA-N
InChI
InChI=1S/C16H11ClN4/c17-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)18-9-15-20-19-10-21(14)15/h1-8,10H,9H2

Weigh it out

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

Names and synonyms

19 names · show all
  • 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-6-phenyl-
  • 4H-s-Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-6-phenyl-
  • 8-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
  • D 40TA
  • 8-Chloro-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine
  • 8-Chloro-6-phenyl-4H-s-triazolo[4,3-α][1,4]benzodiazepine
  • U 33737
  • Eurodin
  • Abbott 47631
  • A 47631
  • ProSom
  • Somnatrol
  • Cannoc
  • Nemurel
  • Esilgan
  • Julodin
  • Nuctalon
  • NSC 290818
  • 8-Chloro-6-phenyl-4H-[1,2,4]-triazolo[4,3-(a)][1,4]benzodiazepine

Work with Estazolam

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

Alprazolam28981-97-763 % similar Triazolam28911-01-550 % similar 8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-A][1,4]benzodiazepine28910-91-048 % similar 7-Chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepine-2-thione4547-02-845 % similar 8-Bromo-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-A][1,4]benzodiazepine71368-80-444 % similar 4-(2-Chlorophenyl)-2-ethyl-6H-thieno[3,2-F][1,2,4]triazolo[4,3-A][1,4]diazepine40054-68-043 % similar Diazepam439-14-540 % similar Midazolam59467-70-839 % similar

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

Elsewhere

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