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

Modify Date: 2024-04-03 07:07:27

3-[4-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol Structure
3-[4-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol structure
 Common Name 3-[4-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol
CAS Number 74667-83-7 Molecular Weight 464.59800
Density N/A Boiling Point N/A
Molecular Formula C22H28N2O5S2 Melting Point N/A
MSDS N/A Flash Point N/A

 Names

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

N/A structure

N/A

CAS#:74667-79-1

~84%

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

3-[4-(3-methyls...

CAS#:74667-83-7
Literature: Valenta; Dlabac; Bartosova; et al. Collection of Czechoslovak Chemical Communications, 1980 , vol. 45, # 2 p. 529 - 538
1-Piperazinepropanol structure

1-Piperazinepropanol

CAS#:5317-32-8

~%

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

3-[4-(3-methyls...

CAS#:74667-83-7
Literature: Valenta; Dlabac; Bartosova; et al. Collection of Czechoslovak Chemical Communications, 1980 , vol. 45, # 2 p. 529 - 538
N/A structure

N/A

CAS#:16185-20-9

~%

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

3-[4-(3-methyls...

CAS#:74667-83-7
Literature: Valenta; Dlabac; Bartosova; et al. Collection of Czechoslovak Chemical Communications, 1980 , vol. 45, # 2 p. 529 - 538
10-[4-(3-Hydroxypropyl)piperazino]-8-(methylsulfonyl)-10,11-dihydrodibenzo[b,f]thiepin structure

10-[4-(3-Hydrox...

CAS#:74667-71-3

~%

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

3-[4-(3-methyls...

CAS#:74667-83-7
Literature: Valenta; Dlabac; Bartosova; et al. Collection of Czechoslovak Chemical Communications, 1980 , vol. 45, # 2 p. 529 - 538

 Precursor & DownStream

Precursor  2

DownStream  0

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Chemsrc provides CAS#:74667-83-7 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-[4-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol>> amp version: 3-[4-(3-methylsulfonyl-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]propan-1-ol

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