11-(3-Methylaminopropyl)-11H-dibenzo(b,f)-1,4-oxathiepin hydrogen oxal ate

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Names

[ CAS No. ]:
82387-11-9

[ Name ]:
11-(3-Methylaminopropyl)-11H-dibenzo(b,f)-1,4-oxathiepin hydrogen oxal ate

Chemical & Physical Properties

[ Boiling Point ]:
398.5ºC at 760 mmHg

[ Molecular Formula ]:
C19H21NO5S

[ Molecular Weight ]:
375.43900

[ Flash Point ]:
194.8ºC

[ Exact Mass ]:
375.11400

[ PSA ]:
121.16000

[ LogP ]:
4.17180

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HQ3940000
CHEMICAL NAME :
11H-Dibenz(b,f)-1,4-oxathiepin-11-propanamine, N-methyl-, ethanedioate
CAS REGISTRY NUMBER :
82387-11-9
LAST UPDATED :
198612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C17-H19-N-O-S.C2-H2-O4
MOLECULAR WEIGHT :
375.47
WISWESSER LINE NOTATION :
T C676 BO IS JHJ J3M1 &QVVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
374 mg/kg
TOXIC EFFECTS :
Behavioral - ataxia
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: 47,967,1982
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
39465 ug/kg
TOXIC EFFECTS :
Behavioral - ataxia
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: 47,967,1982

Related Compounds

  • 4-Chloro-2-(morpholinomethyl)phenylboronic acid, pinacol ester
  • 3-Chloro-2-(N,N-diethylaminomethyl)phenylboronic acid, pinacol ester
  • 3-Chloro-2-(N-cyclopropylaminomethyl)phenylboronic acid, pinacol ester
  • 5-Bromo-4-fluoro-2,3-methylenedioxyphenylboronic acid, pinacol ester
  • 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carbaldehyde
  • 4-Fluoro-2-(N-cyclopropylaminomethyl)phenylboronic acid pinacol ester, hcl
  • N-Ethyl-N-(5-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)ethanamine hydrochloride
  • N-(5-Fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)propan-1-amine hydrochloride
  • 4-Fluoro-2-(morpholinomethyl)phenylboronic Acid Pinacol Ester Hydrochloride
  • H-D-Ala-pro-OH hydrochloride
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