21699-87-6

21699-87-6 structure

21699-87-6 structure

Name: (Z)-but-2-enedioic acid,1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine
Chemical Name: (Z)-but-2-enedioic acid,1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine
CAS Number: 21699-87-6
Molecular Formula: C₂₃H₃₀N₂O₈S
Molecular Weight: 494.55800
Create Date: 2017-08-14 09:11:15
Modify Date: 2024-01-29 12:12:30

Name	(Z)-but-2-enedioic acid,1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine
Synonyms	1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine Piperazine,1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-,maleate (1:2) 1-Methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine maleate (1:2)

Molecular Formula	C₂₃H₃₀N₂O₈S
Molecular Weight	494.55800
Exact Mass	494.17200
PSA	180.98000
LogP	2.16040
Vapour Pressure	1.68E-05mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TM1823000

CAS REGISTRY NUMBER :: 21699-87-6

LAST UPDATED :: 198612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C15-H22-N2-S.2C4-H4-O4

MOLECULAR WEIGHT :: 494.61

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 :: 55 mg/kg

TOXIC EFFECTS :: Sense Organs and Special Senses (Eye) - mydriasis (pupillary dilation) Vascular - BP lowering not characterized in autonomic section

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