11-(3-Dimethylaminopropyl)-11H-dibenz(b,f)-1,4-oxathiepin hydrogen oxa late hemihydrate

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Names

[ CAS No. ]:
82387-05-1

[ Name ]:
11-(3-Dimethylaminopropyl)-11H-dibenz(b,f)-1,4-oxathiepin hydrogen oxa late hemihydrate

Chemical & Physical Properties

[ Boiling Point ]:
398ºC at 760 mmHg

[ Molecular Formula ]:
C20H23NO5S

[ Molecular Weight ]:
389.46500

[ Flash Point ]:
194.5ºC

[ Exact Mass ]:
389.13000

[ PSA ]:
112.37000

[ LogP ]:
4.12310

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
HQ3930000
CAS REGISTRY NUMBER :
82387-05-1
LAST UPDATED :
198612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H21-N-O-S.C2-H2-O4.1/2H2-O
MOLECULAR WEIGHT :
398.47
WISWESSER LINE NOTATION :
T C676 BO IS JHJ J3N1&1 &QVVQ &QH 1/2

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 :
496 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

Related Compounds

  • 1-[(5-Propyl-1,3-oxazol-2-yl)methyl]piperazine
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
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  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
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  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine
  • 4-amino-N-[2-tert-butyl-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]-N-ethylbenzenesulfonamide