Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2, 3-trimethoxy-10-(methylthio)-7-[(2,3,4, 6-tetra-O-acetyl-.beta.-D-glucopyranosyl)amino]-, (S)-

Modify Date: 2024-09-13 11:02:48

Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2, 3-trimethoxy-10-(methylthio)-7-[(2,3,4, 6-tetra-O-acetyl-.beta.-D-glucopyranosyl)amino]-, (S)- structure	Common Name	Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2, 3-trimethoxy-10-(methylthio)-7-[(2,3,4, 6-tetra-O-acetyl-.beta.-D-glucopyranosyl)amino]-, (S)-
	CAS Number	66568-83-0	Molecular Weight	703.75300
	Density	1.34g/cm3	Boiling Point	821.5ºC at 760 mmHg
	Molecular Formula	C₃₄H₄₁NO₁₃S	Melting Point	N/A
	MSDS	N/A	Flash Point	450.7ºC

Name	Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-7-[(2,3,4,6-tetra-O-acetyl-.β.-D-glucopyranosyl)amino]-, (S)

Density	1.34g/cm3
Boiling Point	821.5ºC at 760 mmHg
Molecular Formula	C₃₄H₄₁NO₁₃S
Molecular Weight	703.75300
Flash Point	450.7ºC
Exact Mass	703.23000
PSA	196.52000
LogP	3.51240
Index of Refraction	1.585

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DF9486500

CHEMICAL NAME :: Benzo(a)heptalen-9(5H)-one, 6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-7-((2,3, 4,6-tetra- O-acetyl-beta-D-glucopyranosyl)amino)-, (S)-

CAS REGISTRY NUMBER :: 66568-83-0

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C34-H41-N-O13-S

MOLECULAR WEIGHT :: 703.82

WISWESSER LINE NOTATION :: L B677 MV&T&J CO1 DO1 EO1 NS1 JM- BT6OTJ COV1 DOV1 EOV1 F1OV1

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 :: 109 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