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

Modify Date: 2024-01-23 12:38:11

5,5′-(TEREPHTHALOYLBIS(IMINO-p-PHENYL-ENE))BIS(2,4-DIAMINO-1-ETHYLPYRIMIDIN-IUM)-DI-p-TOLUENESULFONATE Structure
5,5′-(TEREPHTHALOYLBIS(IMINO-p-PHENYL-ENE))BIS(2,4-DIAMINO-1-ETHYLPYRIMIDIN-IUM)-DI-p-TOLUENESULFONATE structure
Common Name 5,5′-(TEREPHTHALOYLBIS(IMINO-p-PHENYL-ENE))BIS(2,4-DIAMINO-1-ETHYLPYRIMIDIN-IUM)-DI-p-TOLUENESULFONATE
CAS Number 17794-13-7 Molecular Weight 761.87200
Density N/A Boiling Point N/A
Molecular Formula C39H41N10O5S+ Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name mono(5,5'-((terephthaloylbis(azanediyl))bis(4,1-phenylene))bis(2,4-diamino-1-ethylpyrimidin-1-ium)) mono(4-methylbenzenesulfonate)

 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
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