Urea, N-(2-chloroethyl)-N-[5,6,7,9-tetrahydro-1,2, 3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-

Modify Date: 2024-03-02 18:09:38

Urea, N-(2-chloroethyl)-N-[5,6,7,9-tetrahydro-1,2, 3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)- structure	Common Name	Urea, N-(2-chloroethyl)-N-[5,6,7,9-tetrahydro-1,2, 3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-
	CAS Number	75776-08-8	Molecular Weight	478.98900
	Density	1.32g/cm3	Boiling Point	781.6ºC at 760 mmHg
	Molecular Formula	C₂₃H₂₇ClN₂O₅S	Melting Point	N/A
	MSDS	N/A	Flash Point	426.5ºC

Name	Urea, N-(2-chloroethyl)-N'-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)

Density	1.32g/cm3
Boiling Point	781.6ºC at 760 mmHg
Molecular Formula	C₂₃H₂₇ClN₂O₅S
Molecular Weight	478.98900
Flash Point	426.5ºC
Exact Mass	478.13300
PSA	111.19000
LogP	4.76860
Index of Refraction	1.615

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YS5014250

CHEMICAL NAME :: Urea, 1-(2-chloroethyl)-3-(10-methylthio-9-oxo-1,2,3-trimet hoxy-5,6,7,9-tetrahyd robenzo(a) heptalen-7-yl)-

CAS REGISTRY NUMBER :: 75776-08-8

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C23-H27-Cl-N2-O5-S

MOLECULAR WEIGHT :: 479.03

WISWESSER LINE NOTATION :: L B677 MV&T&J CO1 DO1 EO1 JMVM2G 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 :: 5628 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

1-Chloro-2-isoc...

CAS#:1943-83-5

Benzo[a]heptale...

CAS#:2731-16-0

~52%

Urea, N-(2-chlo...

CAS#:75776-08-8

Literature: Lin, Tai-Shun; Shiau, George T.; Prusoff, William H.; Harmon, Robert E. Journal of Medicinal Chemistry, 1980 , vol. 23, # 12 p. 1440 - 1442

Precursor 2
CAS#:1943-83-5 1-Chloro-2-isoc... CAS#:2731-16-0 Benzo[a]heptale...
DownStream 0

Dichloromethane
CAS#:75-09-2

Polyacrylic acid
CAS#:9003-01-4

sodium carbonate
CAS#:497-19-8

Silicon dioxide
CAS#:7631-86-9

Triethanolamine
CAS#:102-71-6

Demeton
CAS#:126-75-0

Water
CAS#:7732-18-5

4-(4-Piperidinyl)morpholine dihydrochloride
CAS#:53617-35-9

Diclofenac sodium
CAS#:15307-79-6

Budesonide
CAS#:51372-29-3

Urea, N-(2-chloroethyl)-N-[5,6,7,9-tetrahydro-1,2, 3-trimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream