(Z)-but-2-enedioic acid,1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine

Modify Date: 2025-09-13 17:43:37

(Z)-but-2-enedioic acid,1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine Structure
(Z)-but-2-enedioic acid,1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine structure
 Common 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 Weight 494.55800
Density N/A Boiling Point N/A
Molecular Formula C23H30N2O8S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name (Z)-but-2-enedioic acid,1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine
Synonym More Synonyms

 Chemical & Physical Properties

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
InChIKey JRTPVROSRZRSSP-SPIKMXEPSA-N
SMILES CN1CCN(C2CCCSc3ccccc32)CC1.O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O

 Toxicological Information

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

 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)
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Chemsrc provides CAS#:21699-87-6 MSDS, density, melting point, boiling point, structure, etc. Its name is (Z)-but-2-enedioic acid,1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine>> amp version: (Z)-but-2-enedioic acid,1-methyl-4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine

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