5,5′-(TEREPHTHALOYLBIS(IMINO-p-PHENYL-ENE))BIS(2,4-DIAMINO-1-ETHYLPYRIMIDIN-IUM)-DI-p-TOLUENESULFONATE

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Names

[ CAS No. ]:
17794-13-7

[ Name ]:
5,5′-(TEREPHTHALOYLBIS(IMINO-p-PHENYL-ENE))BIS(2,4-DIAMINO-1-ETHYLPYRIMIDIN-IUM)-DI-p-TOLUENESULFONATE

Chemical & Physical Properties

[ Molecular Formula ]:
C39H41N10O5S+

[ Molecular Weight ]:
761.87200

[ Exact Mass ]:
761.29800

[ PSA ]:
261.40000

[ LogP ]:
7.70950

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW5976500
CHEMICAL NAME :
Pyrimidinium, 5,5'-(terephthaloylbis(imino-p-phenylene))bis(2,4-dia mino-1-ethyl-, di-p-toluenesulfonate
CAS REGISTRY NUMBER :
17794-13-7
LAST UPDATED :
199409
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C32-H34-N10-O2.2C7-H7-O3-S
MOLECULAR WEIGHT :
933.16
WISWESSER LINE NOTATION :
T6K CNJ A2 BZ DZ ER DMVR DVMR D- ET6K CNJ A2 BZ DZ &WSO&R D1 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD10 - Lethal Dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
15 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
DNA adduct
TEST SYSTEM :
Rodent - mouse Lymphocyte
DOSE/DURATION :
840 nmol/L
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: 22,134,1979

Related Compounds

  • 3-chloro-N-(2-(2-fluorophenoxy)pyrimidin-5-yl)-4-methoxybenzenesulfonamide
  • 1-(2-Methoxypyrimidin-5-yl)-3-phenylurea
  • 1-(3-Chloro-4-methylphenyl)-3-(2-methoxypyrimidin-5-yl)urea
  • 1-(5-Chloro-2,4-dimethoxyphenyl)-3-(2-methoxypyrimidin-5-yl)urea
  • 1-(Benzo[d][1,3]dioxol-5-yl)-3-(2-methoxypyrimidin-5-yl)urea
  • 1-(4-Methoxy-2-methylphenyl)-3-(2-methoxypyrimidin-5-yl)urea
  • 1-(2-Ethylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
  • 1-(3-Chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea
  • 1-(3-Fluoro-4-methylphenyl)-3-(2-phenoxypyrimidin-5-yl)urea
  • 1-(2,4-Difluorophenyl)-3-(2-phenoxypyrimidin-5-yl)urea