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Clothiapine
SpectraBase Compound ID JZt4dnWPqJ1
InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
InChIKey KAAZGXDPUNNEFN-UHFFFAOYSA-N
Mol Weight 343.88 g/mol
Molecular Formula C18H18ClN3S
Exact Mass 343.090996 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Ctriv1Ez5G
Name Clothiapine
CAS Registry Number 2058-52-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClN3S
InChI InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3
InChIKey KAAZGXDPUNNEFN-UHFFFAOYSA-N
Molecular Weight 343.876 g/mol
SMILES CN1CCN(CC1)C=1c2cc(ccc2Sc2ccccc2N1)Cl
SPLASH splash10-00e9-9050000000-169293e1e9a27d8aac27
Source of Spectrum CD-129-0-0
Synonyms 2-Chloro-11-(4-methyl-1-piperazinyl)dibenzo[b,f][1,4]thiazepine 2-Chloro-11-(4-methylpiperazino)dibenzo(b,f)(1,4)thiazepine 8-Chloranyl-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine 8-Chloro-6-(4-methyl-1-piperazinyl)benzo[b][1,4]benzothiazepine 8-Chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine 8-Chloro-6-(4-methylpiperazino)benzo[b][1,4]benzothiazepine Clotiapina Clotiapine Clotiapinum Dibenzothiazepine Dibenzo[b,f][1,4]thiazepine, 2-chloro-11-(4-methyl-1-piperazinyl)- Entumin Entumine Etumine S-805C BRN 0568276 EINECS 218-162-8 HF 2159 LW 2159
Wiley ID 1337255