(S)-7-(α-L-Arabinopyranosylamino)-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)benzo[a]heptalen-9(5H)-one

Modify Date: 2024-02-01 13:40:36

(S)-7-(α-L-Arabinopyranosylamino)-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)benzo[a]heptalen-9(5H)-one structure	Common Name	(S)-7-(α-L-Arabinopyranosylamino)-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)benzo[a]heptalen-9(5H)-one
	CAS Number	76155-18-5	Molecular Weight	505.58100
	Density	1.4g/cm3	Boiling Point	797.8ºC at 760 mmHg
	Molecular Formula	C₂₅H₃₁NO₈S	Melting Point	N/A
	MSDS	N/A	Flash Point	436.3ºC

Name	1,2,3-trimethoxy-10-methylsulfanyl-7-[(3,4,5-trihydroxyoxan-2-yl)amino]-6,7-dihydro-5H-benzo[a]heptalen-9-one

Density	1.4g/cm3
Boiling Point	797.8ºC at 760 mmHg
Molecular Formula	C₂₅H₃₁NO₈S
Molecular Weight	505.58100
Flash Point	436.3ºC
Exact Mass	505.17700
PSA	152.01000
LogP	1.86830
Index of Refraction	1.649

CHEMICAL IDENTIFICATION

RTECS NUMBER :: DF9484000

CHEMICAL NAME :: Benzo(a)heptalen-9(5H)-one, 7-(alpha-L-arabinosylamino)-6,7-dihydro-1,2,3-trimeth oxy-10- (methylthio)-, (S)-

CAS REGISTRY NUMBER :: 76155-18-5

LAST UPDATED :: 198408

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C25-H31-N-O8-S

MOLECULAR WEIGHT :: 505.63

WISWESSER LINE NOTATION :: L B677 MV&T&J CO1 DO1 EO1 NS1 JM- BT6OTJ CQ DQ EQ

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 :: 53 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