13956-72-4

13956-72-4 structure

13956-72-4 structure

Name: (Z)-but-2-enedioic acid,1-(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
Chemical Name: (Z)-but-2-enedioic acid,1-(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
CAS Number: 13956-72-4
Molecular Formula: C₂₃H₂₅ClN₂O₄S
Molecular Weight: 460.97400
Create Date: 2017-03-24 08:52:00
Modify Date: 2024-04-03 14:23:17

Name	(Z)-but-2-enedioic acid,1-(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
Synonyms	1-(1-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine Piperazine,1-(4-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-,maleate (1:1) 1-(4-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate

Molecular Formula	C₂₃H₂₅ClN₂O₄S
Molecular Weight	460.97400
Exact Mass	460.12200
PSA	106.38000
LogP	3.92340
Vapour Pressure	8.09E-08mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TL1574860

CAS REGISTRY NUMBER :: 13956-72-4

LAST UPDATED :: 198706

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C19-H21-Cl-N2-S.C4-H4-O4

MOLECULAR WEIGHT :: 461.01

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 :: 67 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: 33,1852,1968