Dehydrochlothepin structure

Dehydrochlothepin

1-(3-chlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine

Also Known As: Dehydrochlothepin|Dehydroclothepin|KST-1B5473|8-Chloro-10-(4-methylpiperazino)dibenzo(b,f)thiepin|5-23-02-00448 (Beilstein Handbook Reference)|1-(8-chlorodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine|Piperazine, 1-(8-chlorodibenzo(b,f)thiepin-10-yl)-4-methyl-|1-(8-Chlorodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine|8-Chlor-10-(4-methylpiperazino)dibenzo(b,f)thiepin|2-Chloro-11-(4-methylpiperazino)dibenzo[b,f]thiepin|8-CHLORO-10-(4-METHYLPIPERAZINO)DIBENZO(B,F)THIEPINE|8-CHLORO-10-(4-METHYLPIPERAZINYL)DIBENZO(B,F)THIEPIN|1-(3-chlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine|Piperazine, 1-(8-chlorodibenzo[b,f]thiepin-10-yl)-4-methyl-|1-{6-chloro-2-thiatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-9-yl}-4-methylpiperazine

CAS: 54986-53-7
Molecular Formula C19H19ClN2S
Molecular Weight 342.09573 g/mol
LogP 4.8
Topological Polar Surface Area 31.8 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 1
Exact Mass 342.09573
Monoisotopic Mass 342.09573
Heavy Atoms 23
Complexity 447.0

Chemical Identifiers

CAS Number 54986-53-7
SMILES CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChIKey QBQNBLXYDPHRPV-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.

Pharmaceutical Intermediates (6 patents)

Product Overview

Dehydrochlothepin (CAS 54986-53-7), with molecular formula C19H19ClN2S and molecular weight 342.09573 g/mol. IUPAC: 1-(3-chlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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