3-chloro-5-piperazin-1-ium-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-1-ol,(Z)-4-hydroxy-4-oxobut-2-enoate

Names

[ CAS No. ]:
68351-09-7

[ Name ]:
3-chloro-5-piperazin-1-ium-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-1-ol,(Z)-4-hydroxy-4-oxobut-2-enoate

[Synonym ]:
8-Chloro-6-hydroxy-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin maleate
3-chloro-5-piperazin-1-ium-1-yl-5,6-dihydrobenzo[b][1]benzothiepin-1-ol
Dibenzo(b,f)thiepin-4-ol,10,11-dihydro-2-chloro-11-(1-piperazinyl)-,(Z)-2-butenedioate (1:1)
10,11-Dihydro-2-chloro-11-(1-piperazinyl)dibenzo(b,f)thiepin-4-ol maleate

Chemical & Physical Properties

[ Molecular Formula ]:
C22H23ClN2O5S

[ Molecular Weight ]:
462.94600

[ Exact Mass ]:
462.10200

[ PSA ]:
135.40000

[ LogP ]:
3.67770

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HQ2647830
CAS REGISTRY NUMBER :
68351-09-7
LAST UPDATED :
198806
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H19-Cl-N2-O-S.C4-H4-O4
MOLECULAR WEIGHT :
462.98

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CCCCAK Collection of Czechoslovak Chemical Communications. (Academic Press Inc. Ltd., 24-28 Oval Rd., London NW1 7DX, UK) V.1- 1929- Volume(issue)/page/year: 43,1747,1978

Related Compounds

  • 4-methyl-1-(2,2,3-trimethylbutyl)-1H-pyrazol-3-amine
  • 3-methyl-1-(2,2,3-trimethylbutyl)-1H-pyrazol-4-amine
  • 5-bromo-1-(hexa-3,5-dien-1-yl)-1H-1,2,4-triazol-3-amine
  • Butyl 2-(2-pyridinyl)-1-piperidinecarboxylate
  • 5-Amino-1-(hexa-3,5-dien-1-yl)-6-methyl-1,2-dihydropyridin-2-one
  • 1-[3-(trifluoromethoxy)propyl]-1H-1,2,4-triazol-3-amine
  • 1-[2-(2-cyclopropylcyclopropyl)ethyl]-1H-1,2,4-triazol-3-amine
  • 1-[2-(2-cyclopropylcyclopropyl)ethyl]-3-methyl-1H-pyrazol-4-amine
  • rac-1-{2-[(1R,2R)-2-cyclopropylcyclopropyl]ethyl}-5-methyl-1H-pyrazol-3-amine
  • rac-4-bromo-1-{2-[(1R,2R)-2-cyclopropylcyclopropyl]ethyl}-1H-pyrazol-3-amine
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