Octoclothepin
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Octoclothepin
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CAS No:
13448-22-1
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Formula:
C19H21ClN2S
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Chemical Name:
Octoclothepin
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Synonyms:
Piperazine,1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methyl-;Dibenzo[b,f]thiepin,piperazine deriv.;1-(8-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine;Octoclothepine;Octoclothepin;Clotepin;Clothepin;Clorotepine;Chlorothepin;(±)-Octoclothepin;(±)-Clothepin;41931-02-6
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CAS No:
Characteristics
31.8
4.21160
1.1391 (rough estimate)
99-101 °C @ Solvent: Water, Ethanol
437.9ºC at 760mmHg
218.6ºC
1.6000 (estimate)
LD50 orl-mus: 78 mg/kg CCCCAK 48,144,83
Computed Properties
Molecular Weight:344.9
XLogP3:4.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:344.1113975
Monoisotopic Mass:344.1113975
Topological Polar Surface Area:31.8
Heavy Atom Count:23
Complexity:399
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes