21699-88-7

21699-88-7 structure

21699-88-7 structure

Name: (E)-but-2-enedioic acid,1-phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine
Chemical Name: (E)-but-2-enedioic acid,1-phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine
CAS Number: 21699-88-7
Molecular Formula: C₂₄H₂₈N₂O₄S
Molecular Weight: 440.55500
Create Date: 2016-02-13 21:32:01
Modify Date: 2024-01-12 16:03:58

Name	(E)-but-2-enedioic acid,1-phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine
Synonyms	(E)-but-2-enedioic acid Piperazine,1-phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-,maleate (1:1) 1-Phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine maleate 1-phenyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine

Molecular Formula	C₂₄H₂₈N₂O₄S
Molecular Weight	440.55500
Exact Mass	440.17700
PSA	106.38000
LogP	4.15050
Vapour Pressure	1.5E-08mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TM2643220

CAS REGISTRY NUMBER :: 21699-88-7

LAST UPDATED :: 198612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C20-H24-N2-S.C4-H4-O4

MOLECULAR WEIGHT :: 440.60

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 2 gm/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