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	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

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

Molecular Formula	C₃₉H₄₁N₁₀O₅S+
Molecular Weight	761.87200
Exact Mass	761.29800
PSA	261.40000
LogP	7.70950

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