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-Amino-5-(aminomethyl)benzamide
  • 3-Chloro-2-(3-methoxyphenoxy)aniline
  • 4-(Cyclopentyloxy)-3-(trifluoromethyl)aniline
  • 4-Cyclohexyloxy-3-(trifluoromethyl)aniline
  • 4-(3-Methylpiperidin-1-yl)-3-(trifluoromethyl)aniline
  • 4-(2-Methylpiperidin-1-yl)-3-(trifluoromethyl)aniline
  • 4-(2-Ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline
  • 4-(4-Benzylpiperazin-1-yl)-3-(trifluoromethyl)aniline
  • 4-(4-Methylphenoxy)-3-(trifluoromethyl)aniline
  • 2-(Cyclopentyloxy)-5-(trifluoromethyl)aniline
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