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

  • 2-{2-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclohexyl]acetamido}-2-methylbutanoic acid
  • 4-[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)pentanamido]-2-hydroxybenzoic acid
  • 3-{1-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2-methoxypropanoyl]piperidin-2-yl}propanoic acid
  • 1-(2-{[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclobutyl]formamido}ethyl)-1H-1,2,3-triazole-4-carboxylic acid
  • 2-{1-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)oxolan-2-yl]-N-methylformamido}butanoic acid
  • 3-{N-ethyl-1-[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)oxolan-2-yl]formamido}propanoic acid
  • 3-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)oxolan-2-yl]formamido}-2,2-dimethylpropanoic acid
  • 3-{[3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)oxolan-2-yl]formamido}pentanoic acid
  • 4-[3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]-4-methylpentanoic acid
  • 5-[3-(benzyloxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]pyridine-3-carboxylic acid
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