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66568-82-9

66568-82-9 structure
66568-82-9 structure

Name Benzo[a]heptalen-9(5H)-one, 7-(.β.-D-glucopyranosylamino)-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, (S)
Density 1.43g/cm3
Boiling Point 839.8ºC at 760 mmHg
Molecular Formula C26H33NO9S
Molecular Weight 535.60700
Flash Point 461.7ºC
Exact Mass 535.18800
PSA 172.24000
LogP 1.22920
Index of Refraction 1.656

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF9488000
CHEMICAL NAME :
Benzo(a)heptalen-9(5H)-one, 7-(beta-D-glucopyranosylamino)-6,7-dihydro-1,2,3-trim ethoxy-10- (methylthio)-, (S)-
CAS REGISTRY NUMBER :
66568-82-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C26-H33-N-O9-S
MOLECULAR WEIGHT :
535.66
WISWESSER LINE NOTATION :
L B677 MV&T&J CO1 DO1 EO1 NS1 JM- BT6OTJ CQ DQ EQ F1Q

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 :
104 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
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: 24,636,1981