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

  • 1-(Azidomethyl)-2-oxa-7lambda6-thiaspiro[4.4]nonane-3,7,7-trione
  • {3-Oxo-2,7-dioxaspiro[4.4]nonan-1-yl}methanesulfonyl chloride
  • 2-(5-Fluoro-2-hydroxyphenyl)butanedioic acid
  • 5-[3-(1-Hydroxyethyl)azetidin-1-yl]pyridine-2-carbaldehyde
  • 5-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)methyl]-1,2,3,6-tetrahydropyridin-3-ol
  • 1-(3-Bromoprop-1-en-2-yl)-2-chloro-3-methylbenzene
  • N,N-dimethyl-4-{6-methyl-2,6-diazaspiro[3.4]octan-8-yl}pyrimidin-2-amine
  • O-{3-[3,5-bis(bromomethyl)phenoxy]propyl}hydroxylamine; trifluoroacetic acid
  • O-{3-[3,5-bis(chloromethyl)phenoxy]propyl}hydroxylamine; trifluoroacetic acid
  • O-{[3,5-bis(chloromethyl)phenyl]methyl}hydroxylamine; trifluoroacetic acid
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