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

名称

[ CAS 号 ]:
21699-91-2

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

[英文别名 ]:

物理化学性质

[ 分子式 ]:
C₂₃H₂₈N₂O₉S

[ 分子量 ]:
508.54100

[ 精确质量 ]:
508.15200

[ PSA ]:
198.05000

[ LogP ]:
1.28050

[ 蒸汽压 ]:
2.6E-07mmHg at 25°C

毒性和生态

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

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