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

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Names

[ CAS No. ]:
75776-08-8

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

Chemical & Physical Properties

[ 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

Toxicological Information

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-Chloro-2-isocyanatoethane
  • Benzo[a]heptalen-9(5H)-one,7-amino-6,7-dihydro-1,2,3-trimethoxy-10-(methylthio)-, (7S)-

DownStream

Related Compounds

  • CID 17495696
  • 8-(2-((4-ethylphenyl)amino)ethyl)-1,7-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
  • 8-(2-((4-ethylphenyl)amino)ethyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
  • CID 17495703
  • 8-(2-((3-chloro-2-methylphenyl)amino)ethyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
  • 8-(2-((3-chloro-4-methoxyphenyl)amino)ethyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
  • 8-(2-((4-ethoxyphenyl)amino)ethyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
  • 8-(2-((2-ethoxyphenyl)amino)ethyl)-1,3,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
  • 1-(2-(4-(2-fluorophenyl)piperazin-1-yl)ethyl)-3,7,9-trimethyl-7,9-dihydro-[1,2,4]triazino[3,4-f]purine-6,8(1H,4H)-dione
  • CID 17495716
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