3-[4-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol

Names

[ CAS No. ]:
74667-83-7

[ Name ]:
3-[4-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol

Chemical & Physical Properties

[ Molecular Formula ]:
C22H28N2O5S2

[ Molecular Weight ]:
464.59800

[ Exact Mass ]:
464.14400

[ PSA ]:
131.70000

[ LogP ]:
3.70980

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TM2670490
CHEMICAL NAME :
1-Piperazinepropanol, 4-(10,11-dihydro-8-(methylsulfonyl)dibenzo(b,f)thiepi n-10-yl)-, S,1-dioxide
CAS REGISTRY NUMBER :
74667-83-7
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C22-H28-N2-O5-S2
MOLECULAR WEIGHT :
464.64

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 :
400 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: 45,529,1980

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-Piperazinepropanol
  • 10-[4-(3-Hydroxypropyl)piperazino]-8-(methylsulfonyl)-10,11-dihydrodibenzo[b,f]thiepin

DownStream

Related Compounds

  • N-[1-(2-Chlorophenyl)-1-pyrazol-1-ylpropan-2-yl]but-2-ynamide
  • N-[2-(1-Methylpyrazol-4-yl)oxan-4-yl]but-2-ynamide
  • N-[3-(3-Methylpyridin-2-yl)propyl]prop-2-enamide
  • 1-[4-(1H-Indazol-4-yl)piperazin-1-yl]prop-2-yn-1-one
  • 6-Chloro-N-(2-pyridin-2-ylethyl)-N-(pyridin-3-ylmethyl)-2H-chromene-3-sulfonamide
  • N-[(1-Benzylcyclohex-2-en-1-yl)methyl]-N'-(3-bromo-2,6-difluorophenyl)oxamide
  • (1RS,2RS,4RS)-N-{[(2R)-1-(2,5,5-trimethylhexanoyl)pyrrolidin-2-yl]methyl}bicyclo[2.2.2]oct-5-ene-2-carboxamide
  • Tert-butyl 6-bromo-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate
  • 4-(4-Propan-2-ylbenzoyl)piperidine-1-sulfonyl fluoride
  • 4-(2-Methyl-3-oxo-4H-1,4-benzoxazine-6-carbonyl)piperidine-1-sulfonyl fluoride
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