chempirical

Norquetiapine

C17H17N3SCAS 5747-48-8295.40 g/mol

Open in Covalent MOL file
NNNHS
AmidineSecondary amineSulfide

Properties

Molecular formula
C17H17N3S
Molar mass
295.40 g/mol
Exact mass
295.1143 Da
logP
3.13Crippen estimate
Polar surface area
27.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Identifiers

CAS number
5747-48-8
SMILES
c1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1S2
InChIKey
JLOAJISUHPIQOX-UHFFFAOYSA-N
InChI
InChI=1S/C17H17N3S/c1-3-7-15-13(5-1)17(20-11-9-18-10-12-20)19-14-6-2-4-8-16(14)21-15/h1-8,18H,9-12H2

Weigh it out

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

Names and synonyms

4 names
  • Dibenzo[b,f][1,4]thiazepine, 11-(1-piperazinyl)-
  • 11-(1-Piperazinyl)dibenzo[b,f][1,4]thiazepine
  • 11-Piperazinodibenzo[b,f][1,4]thiazepine
  • N-Desalkylquetiapine

Work with Norquetiapine

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

11-Piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride111974-74-492 % similar Quetiapine111974-69-760 % similar 11-Chlorodibenzo[B,F][1,4]thiazepine13745-86-351 % similar Quetiapine fumarate111974-72-251 % similar Dibenzo[B,F][1,4]thiazepin-11(10H)-one3159-07-749 % similar N-Desmethylclozapine6104-71-848 % similar Amoxapine14028-44-547 % similar Clozapine5786-21-036 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook