Acetamide, 2-chloro-N-[5,6,7,9-tetrahydro-1,2, 3-trimethoxy-10-(methylthio)-9-oxobenz[a]heptalen-7-yl]-, (S)-

Modify Date: 2024-09-12 11:51:23

Acetamide, 2-chloro-N-[5,6,7,9-tetrahydro-1,2, 3-trimethoxy-10-(methylthio)-9-oxobenz[a]heptalen-7-yl]-, (S)- structure	Common Name	Acetamide, 2-chloro-N-[5,6,7,9-tetrahydro-1,2, 3-trimethoxy-10-(methylthio)-9-oxobenz[a]heptalen-7-yl]-, (S)-
	CAS Number	38479-08-2	Molecular Weight	449.94800
	Density	1.33g/cm3	Boiling Point	749.2ºC at 760 mmHg
	Molecular Formula	C₂₂H₂₄ClNO₅S	Melting Point	N/A
	MSDS	N/A	Flash Point	406.9ºC

Name	Acetamide, 2-chloro-N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenz[a]heptalen-7-yl]-, (S)
Synonym	More Synonyms

Density	1.33g/cm3
Boiling Point	749.2ºC at 760 mmHg
Molecular Formula	C₂₂H₂₄ClNO₅S
Molecular Weight	449.94800
Flash Point	406.9ºC
Exact Mass	449.10600
PSA	99.16000
LogP	4.19470
Index of Refraction	1.615
InChIKey	WRQYTVSIGKEZEJ-HNNXBMFYSA-N
SMILES	COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1C(NC(=O)CCl)CC2

CHEMICAL IDENTIFICATION

RTECS NUMBER :: AB5839000

CHEMICAL NAME :: Acetamide, 2-chloro-N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(m ethylthio)-9-oxobenzo (a) heptalen-7-yl)-, (S)-

CAS REGISTRY NUMBER :: 38479-08-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C22-H24-Cl-N-O5-S

MOLECULAR WEIGHT :: 449.98

WISWESSER LINE NOTATION :: L B677 MV&T&J CO1 DO1 EO1 JMV1G NS1

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 :: 1007 ug/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

17-Chloro-10-demethoxy-10-methylthiocolchicine

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.