Norquetiapine

C₁₇H₁₇N₃SCAS 5747-48-8295.40 g/mol

Open in Covalent MOL file

Amidine Secondary amine Sulfide

Properties

Molecular formula: C₁₇H₁₇N₃S
Molar mass: 295.40 g/mol
Exact mass: 295.1143 Da
logP: 3.13Crippen estimate
Polar surface area: 27.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H361 Suspected of damaging fertility or the unborn child100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P261, P264, P270, P272, P280, P301+P317, P302+P352, P318, P319, P321, P330, P333+P317, P362+P364, P405, P501

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

11-Piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride111974-74-4Salt

Similar compounds

Quetiapine dimer impurity945668-94-086 % similar Quetiapine111974-69-760 % similar O-Dibenzo[b,f][1,4]thiazepinyl Quetiapine1800608-95-058 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook