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

  • 3-Amino-3-(3-chloro-2,6-difluorophenyl)cyclobutan-1-ol
  • 2-(4-Bromo-2-methoxyphenyl)prop-2-en-1-amine
  • rac-tert-butyl (3R,4R)-3-hydroxy-4-{methyl[(pyridin-4-yl)methyl]amino}pyrrolidine-1-carboxylate
  • 1-{6-Methylimidazo[2,1-b][1,3]thiazol-5-yl}prop-2-en-1-one
  • rac-[(1R,3R)-3-{bicyclo[2.2.1]hept-5-en-2-yl}-2,2-dimethylcyclopropyl]methanamine
  • tert-butyl N-[2-hydroxy-1-(1H-1,2,4-triazol-3-yl)ethyl]carbamate
  • Tert-butyl 3-(2-chloropyridin-3-yl)-3-hydroxyazetidine-1-carboxylate
  • tert-butyl N-({5-hydroxyspiro[3.3]heptan-2-yl}methyl)carbamate
  • Tert-butyl 3-hydroxy-3-[1-(methoxycarbonyl)cyclobutyl]piperidine-1-carboxylate
  • 1-(2-chloroquinazolin-4-yl)-1H-pyrazole-4-carbaldehyde
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