Quetiapine dimer impurity

C₃₀H₂₄N₄S₂CAS 945668-94-0504.67 g/mol

Open in Covalent MOL file

Amidine Sulfide

Properties

Molecular formula: C₃₀H₂₄N₄S₂
Molar mass: 504.67 g/mol
Exact mass: 504.1442 Da
logP: 7.09Crippen estimate
Polar surface area: 31.2 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 0

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

945668-94-0

SMILES

C1CN(CCN1C2=NC3=CC=CC=C3SC4=CC=CC=C42)C5=NC6=CC=CC=C6SC7=CC=CC=C75

InChIKey

MFQIBYYFBRAARW-UHFFFAOYSA-N

InChI

InChI=1S/C30H24N4S2/c1-5-13-25-21(9-1)29(31-23-11-3-7-15-27(23)35-25)33-17-19-34(20-18-33)30-22-10-2-6-14-26(22)36-28-16-8-4-12-24(28)32-30/h1-16H,17-20H2

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Names and synonyms

1 names

1,4-Bis(dibenzo(b,f)(1,4)thiazepin-11-yl)piperazine

Work with Quetiapine dimer impurity

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

Norquetiapine5747-48-886 % similar 11-Piperazinodibenzo[b,f][1,4]thiazepine dihydrochloride111974-74-479 % similar Quetiapine111974-69-767 % similar O-Dibenzo[b,f][1,4]thiazepinyl Quetiapine1800608-95-064 % similar Quetiapine fumarate111974-72-256 % similar Dibenzo[b,f][1,4]thiazepin-11(10H)-one3159-07-756 % similar 11-Chlorodibenzo(b,f)(1,4)thiazepine13745-86-354 % similar N-Desmethylclozapine6104-71-838 % similar

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

Elsewhere

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