Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)-

Modify Date: 2024-01-08 23:35:11

Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)- Structure
Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)- structure
 Common Name Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)-
CAS Number 76129-11-8 Molecular Weight 387.49300
Density 1.23g/cm3 Boiling Point 631.2ºC at 760 mmHg
Molecular Formula C21H25NO4S Melting Point N/A
MSDS N/A Flash Point 335.5ºC

 Names

Name Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (S)
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.23g/cm3
Boiling Point 631.2ºC at 760 mmHg
Molecular Formula C21H25NO4S
Molecular Weight 387.49300
Flash Point 335.5ºC
Exact Mass 387.15000
PSA 82.09000
LogP 4.05910
Index of Refraction 1.607

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF9485250
CHEMICAL NAME :
Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-7-(methylamino)-10-(methylthio)-1,2,3-tri methoxy-, (S)-
CAS REGISTRY NUMBER :
76129-11-8
BEILSTEIN REFERENCE NO. :
3170982
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C21-H25-N-O4-S
MOLECULAR WEIGHT :
387.53

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 28,1204,1985

 Synonyms

(S)-1,2,3-Trimethoxy-7-methylamino-10-methylmercapto-6,7-dihydro-5H-benzo[a]heptalen-9-on
(S)-1,2,3-trimethoxy-7-methylamino-10-methylsulfanyl-6,7-dihydro-5H-benzo[a]heptalen-9-one
thiodemecolcine
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Chemsrc provides CAS#:76129-11-8 MSDS, density, melting point, boiling point, structure, etc. Its name is Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)->> amp version: Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)-

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