21699-86-5

21699-86-5 structure

21699-86-5 structure

Name: (Z)-but-2-enedioic acid,4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)morpholine
Chemical Name: (Z)-but-2-enedioic acid,4-(2,3,4,5-tetrahydro-1-benzothiepin-5-yl)morpholine
CAS Number: 21699-86-5
Molecular Formula: C₁₈H₂₃NO₅S
Molecular Weight: 365.44400
Create Date: 2016-01-27 22:20:11
Modify Date: 2024-04-05 16:45:53

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

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

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