21699-91-2

21699-91-2 structure

21699-91-2 structure

Name: (Z)-but-2-enedioic acid,4-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-1-benzothiepin-5-one
Chemical 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 Formula: C₂₃H₂₈N₂O₉S
Molecular Weight: 508.54100
Create Date: 2017-09-01 14:26:57
Modify Date: 2023-01-19 07:36:01

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

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

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