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

Modify Date: 2023-01-19 07:36:01

(Z)-but-2-enedioic acid,4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one Structure
(Z)-but-2-enedioic acid,4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one structure
Common Name (Z)-but-2-enedioic acid,4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one
CAS Number 21699-91-2 Molecular Weight 508.54100
Density N/A Boiling Point N/A
Molecular Formula C23H28N2O9S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

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

 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

 Synonyms

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)
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