(Z)-but-2-enedioic acid,4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one

Names

[ CAS No. ]:
21699-91-2

[ Name ]:
(Z)-but-2-enedioic acid,4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one

[Synonym ]:
4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one
4-(4-Methylpiperazino)-2,3,4,5-tetrahydro-1-benzothiepin-5-one bis(hydrogen maleate)
1-BENZOTHIEPIN-5(2H)-ONE,3,4-DIHYDRO-4-(4-METHYL-1-PIPERAZINYL)-,MALEATE (1:2)
3,4-Dihydro-4-(4-methyl-1-piperazinyl)-1-benzothiepin-5(2H)-one maleate (1:2)

Chemical & Physical Properties

[ Molecular Formula ]:
C23H28N2O9S

[ Molecular Weight ]:
508.54100

[ Exact Mass ]:
508.15200

[ PSA ]:
198.05000

[ LogP ]:
1.28050

[ Vapour Pressure ]:
2.6E-07mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DL8885000
CAS REGISTRY NUMBER :
21699-91-2
LAST UPDATED :
198612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C15-H20-N2-O-S.2C4-H4-O4
MOLECULAR WEIGHT :
508.59

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
100 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: 33,4315,1968

Related Compounds

  • 3-(4-ethoxyphenyl)-7-(4-((5-ethylthiophen-2-yl)sulfonyl)piperazin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
  • 3-benzyl-7-(4-((4-nitrophenyl)sulfonyl)piperazin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
  • 3-benzyl-7-(4-((2-nitrophenyl)sulfonyl)piperazin-1-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidine
  • 2-((1-(2-hydroxyethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
  • 2-((1-(2-hydroxyethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)-N-(3-methoxyphenyl)acetamide
  • N-(2,4-dimethoxyphenyl)-2-((1-(2-hydroxyethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
  • N-(4-fluorobenzyl)-2-((1-(2-hydroxyethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
  • N-(furan-2-ylmethyl)-2-((1-(2-hydroxyethyl)-2-oxo-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
  • 1-(2-hydroxyethyl)-4-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
  • 4-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-1-(2-hydroxyethyl)-6,7-dihydro-1H-cyclopenta[d]pyrimidin-2(5H)-one
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