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

Names

[ CAS No. ]:
21699-86-5

[ Name ]:
(Z)-but-2-enedioic acid,4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)morpholine

[Synonym ]:
4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)morpholine
Morpholine,4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)-,maleate (1:1)
5-Morpholino-2,3,4,5-tetrahydro-1-benzothiepine hydrogen maleate
4-(2,3,4,5-Tetrahydro-1-benzothiepin-5-yl)morpholine maleate

Chemical & Physical Properties

[ Molecular Formula ]:
C18H23NO5S

[ Molecular Weight ]:
365.44400

[ Exact Mass ]:
365.13000

[ PSA ]:
112.37000

[ LogP ]:
2.59550

[ Vapour Pressure ]:
3.76E-05mmHg at 25°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QE9510000
CAS REGISTRY NUMBER :
21699-86-5
LAST UPDATED :
198612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H19-N-O-S.C4-H4-O4
MOLECULAR WEIGHT :
365.48

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 :
150 mg/kg
TOXIC EFFECTS :
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