chempirical

Alprazolam

C17H13ClN4CAS 28981-97-7308.77 g/mol

Open in Covalent MOL file
NNNClN
Aryl halideImine

Properties

Molecular formula
C17H13ClN4
Molar mass
308.77 g/mol
Exact mass
308.0829 Da
Melting point
228–228.5 °C
Water solubility
insoluble
logP
3.58Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 77 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
28981-97-7
SMILES
Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2
InChIKey
VREFGVBLTWBCJP-UHFFFAOYSA-N
InChI
InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3

Weigh it out

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

Names and synonyms

55 names · show all
  • Xanax
  • 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-
  • Alprozolam
  • Trankimazin
  • Valeans
  • Panix
  • Tafil
  • Prinox
  • Alzolam
  • Alpralid
  • Zopax
  • Zolarem
  • Alplax
  • Alpaz
  • Altraxic
  • Restyl
  • Ansiopax
  • Tafil D
  • Anpress
  • Zopic
  • Zoldac
  • Tricalma
  • Zotran
  • Kalma
  • Xanax TS
  • Apo-alpraz
  • Alprazolam intensol
  • Xanor
  • Xanolam
  • Tensivan
  • Alprax
  • Constan
  • Pharnax
  • Azor
  • Alpram
  • Alzam
  • Ralozam
  • Frontal
  • Relaxol
  • Cassadan
  • Tranquinal
  • Xanagis
  • Alcelam
  • Zolam
  • 8-Chloro-1-methyl-6-phenyl-4H-2,3,5,10b-tetraazabenzo[e]azulene
  • Nerum
  • Azolam
  • Paxal
  • TUS 1
  • Solanax
  • 4H-s-Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-1-methyl-6-phenyl-
  • 8-Chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
  • D 65MT
  • U 31889
  • 8-Chloro-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepine

Work with Alprazolam

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

Triazolam28911-01-580 % similar 8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine28910-91-076 % similar Bromazolam71368-80-472 % similar Estazolam29975-16-463 % similar Midazolam59467-70-855 % similar 2-Ethyl-9-methyl-4-phenyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine40054-73-754 % similar 8-Bromo-1-methyl-6-(2-pyridinyl)-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine39243-02-254 % similar Fluclotizolam54123-15-847 % similar

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

Elsewhere

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