(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