PYRIDINIUM, 1-ETHYL-3-(p-(p-((p-(1-ETHYL-PYRIDINIUM-3-YL)PHENYL)CARBAMOYL)-CINNAMAMIDO)PHENYL)-DI-p-TOLUENE SULFONATE

Modify Date: 2025-09-18 19:21:52

PYRIDINIUM, 1-ETHYL-3-(p-(p-((p-(1-ETHYL-PYRIDINIUM-3-YL)PHENYL)CARBAMOYL)-CINNAMAMIDO)PHENYL)-DI-p-TOLUENE SULFONATE structure	Common Name	PYRIDINIUM, 1-ETHYL-3-(p-(p-((p-(1-ETHYL-PYRIDINIUM-3-YL)PHENYL)CARBAMOYL)-CINNAMAMIDO)PHENYL)-DI-p-TOLUENE SULFONATE
	CAS Number	20302-25-4	Molecular Weight	725.87400
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₄₃H₄₁N₄O₅S+	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1-enyl]-N-[4-(1-ethylpyridin-1-ium-3-yl)phenyl]benzamide,4-methylbenzenesulfonate

Molecular Formula	C₄₃H₄₁N₄O₅S+
Molecular Weight	725.87400
Exact Mass	725.28000
PSA	131.54000
LogP	8.66550

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UU4023800

CHEMICAL NAME :: Pyridinium, 1-ethyl-3-(p-(p-((p-(1-ethylpyridinium-3-yl)phenyl)ca rbamoyl)cinnamamido)p henyl)-,di-p-toluenesulfonate

CAS REGISTRY NUMBER :: 20302-25-4

LAST UPDATED :: 199409

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C36-H34-N4-O2.2C7-H7-O3-S

MOLECULAR WEIGHT :: 897.14

WISWESSER LINE NOTATION :: T6KJ A2 CR DMV1U1R DVMR D- CT6KJ A2 &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 :: 60 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 :: 300 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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