Zotepine

C18H18ClNOSCAS 26615-21-4331.86 g/mol

Open in Covalent MOL file
NOSCl
AlkeneAryl halideEtherSulfideTertiary amine

Properties

Molecular formula
C18H18ClNOS
Molar mass
331.86 g/mol
Exact mass
331.0798 Da
Melting point
90–91 °C
logP
4.88Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P317, P330, P391, P501

Identifiers

CAS number
26615-21-4
SMILES
CN(C)CCOC1=Cc2ccccc2Sc2ccc(Cl)cc21
InChIKey
HDOZVRUNCMBHFH-UHFFFAOYSA-N
InChI
InChI=1S/C18H18ClNOS/c1-20(2)9-10-21-16-11-13-5-3-4-6-17(13)22-18-8-7-14(19)12-15(16)18/h3-8,11-12H,9-10H2,1-2H3

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Names and synonyms

9 names
  • Ethanamine, 2-[(8-chlorodibenzo[b,f]thiepin-10-yl)oxy]-N,N-dimethyl-
  • Ethylamine, 2-[(8-chlorodibenzo[b,f]thiepin-10-yl)oxy]-N,N-dimethyl-
  • Dibenzo[b,f]thiepin, ethanamine deriv.
  • 2-[(8-Chlorodibenzo[b,f]thiepin-10-yl)oxy]-N,N-dimethylethanamine
  • Lodopin
  • Nipolept
  • Setous
  • Losizopilon
  • Zoleptil

Work with Zotepine

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

Chlorprothixene113-59-755 % similar Chlorprothixene hydrochloride6469-93-853 % similar Chlorpromazine hydrochloride69-09-043 % similar Zuclopenthixol53772-83-140 % similar Centrophenoxine3685-84-537 % similar 2-Dimethylaminoethyl benzoate2208-05-136 % similar Prochlorperazine58-38-835 % similar Carbinoxamine maleate3505-38-234 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook