Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)-
Names
[ CAS No. ]:
76129-11-8
[ Name ]:
Benzo[a]heptalen-9(5H)-one,6,7-dihydro-1,2,3-trimethoxy-7-(methylamino)-10-(methylthio)-, (7S)-
[Synonym ]:
(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
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