N-[4-[(1-ethylpyridin-5-yl)carbamoyl]phenyl]-N-(1-ethylquinolin-6-yl)benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate

Modify Date: 2024-12-04 14:10:23

N-[4-[(1-ethylpyridin-5-yl)carbamoyl]phenyl]-N-(1-ethylquinolin-6-yl)benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate structure	Common Name	N-[4-[(1-ethylpyridin-5-yl)carbamoyl]phenyl]-N-(1-ethylquinolin-6-yl)benzene-1,4-dicarboxamide; 4-methylbenzenesulfonate
	CAS Number	19060-33-4	Molecular Weight	716.82500
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₄₀H₃₈N₅O₆S+	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	1-N-[4-[(1-ethylpyridin-1-ium-3-yl)carbamoyl]phenyl]-4-N-(1-ethylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide,4-methylbenzenesulfonate

Molecular Formula	C₄₀H₃₈N₅O₆S+
Molecular Weight	716.82500
Exact Mass	716.25400
PSA	160.64000
LogP	7.41040

CHEMICAL IDENTIFICATION

RTECS NUMBER :: VC3675800

CHEMICAL NAME :: Quinolinium, 1-ethyl-6-((p-(p-((1-ethylpyridinium-3-yl)carbamoyl)p henyl)carbamoyl) benzamido)-, di-p-toluenesulfonate

CAS REGISTRY NUMBER :: 19060-33-4

LAST UPDATED :: 199409

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C33-H31-N5-O3.2C7-H7-O3-S

MOLECULAR WEIGHT :: 888.09

WISWESSER LINE NOTATION :: T66 BKJ B2 HMVR DVMR DVM- 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 :: 9 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 :: 740 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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