1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl) piperazine

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Names

[ CAS No. ]:
101040-99-7

[ Name ]:
1-(2-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(2-phenoxyethyl) piperazine

Chemical & Physical Properties

[ Boiling Point ]:
574.3ºC at 760mmHg

[ Molecular Formula ]:
C30H31ClN2O5S

[ Molecular Weight ]:
567.09600

[ Flash Point ]:
301.1ºC

[ Exact Mass ]:
566.16400

[ PSA ]:
115.61000

[ LogP ]:
5.37260

[ Vapour Pressure ]:
3.4E-13mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TL1760190
CAS REGISTRY NUMBER :
101040-99-7
LAST UPDATED :
199204
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C26-H27-C1-N2-O-S.C4-H4-O4
MOLECULAR WEIGHT :
543.70

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 :
981 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia
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: 50,1070,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
35 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: 50,1070,1985

Related Compounds

  • (1-Methylindolin-4-yl)boronicacid
  • 6-Fluoro-2-[(2-fluoroethyl)sulfanyl]-1,3-benzothiazole
  • 5-hydroxy-2-Thiopheneethanol
  • 4-(Triazol-2-yl)pyridine-3-carboxylic acid
  • 4,5,6,7-Tetrahydropyrazolo[1,5-a]pyrazin-3-ylboronic acid
  • Phenyl[2-(1-piperazinyl)-5-pyrimidinyl]methanone hydrochloride
  • 5-(2-Fluorophenoxy)-2-(1-piperazinyl)pyrimidine hydrochloride
  • 5-(4-fluorophenylsulfonyl)-2-(piperazin-1-yl)pyrimidine HCl salt
  • Ubrogepant monohydrate
  • Methyl 2-amino-2-(6-methoxypyridin-3-yl)acetate
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