21609-71-2

21609-71-2 structure

21609-71-2 structure

Name: 4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one,chloride
Chemical Name: 4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one,chloride
CAS Number: 21609-71-2
Molecular Formula: C₁₆H₂₂ClNOS
Molecular Weight: 311.87000
Create Date: 2017-09-17 03:26:46
Modify Date: 2024-01-29 22:48:33

Name	4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one,chloride
Synonyms	1-BENZOTHIEPIN-5(2H)-ONE,3,4-DIHYDRO-4-(PIPERIDINOMETHYL)-,HYDROCHLORIDE 1-[(5-oxo-2,3,4,5-tetrahydro-1-benzothiepin-4-yl)methyl]piperidinium chloride 4-(Piperidinomethyl)-2,3,4,5-tetrahydro-1-benzothiepin-5-one hydrochloride 3,4-Dihydro-4-(piperidinomethyl)-1-benzothiepin-5(2H)-one hydrochloride 4-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1-benzothiepin-5-one chloride

Molecular Formula	C₁₆H₂₂ClNOS
Molecular Weight	311.87000
Exact Mass	311.11100
PSA	45.61000
LogP	4.20710
Vapour Pressure	4.17E-07mmHg at 25°C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DL8886000

CHEMICAL NAME :: 1-Benzothiepin-5(2H)-one, 3,4-dihydro-4-(piperidinomethyl)-, hydrochloride

CAS REGISTRY NUMBER :: 21609-71-2

LAST UPDATED :: 198612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C16-H21-N-O-S.Cl-H

MOLECULAR WEIGHT :: 311.90

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 :: 25 mg/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