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

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Names

[ CAS No. ]:
20302-25-4

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

Chemical & Physical Properties

[ Molecular Formula ]:
C₄₃H₄₁N₄O₅S+

[ Molecular Weight ]:
725.87400

[ Exact Mass ]:
725.28000

[ PSA ]:
131.54000

[ LogP ]:
8.66550

Toxicological Information

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

Related Compounds

1-(6-(1H-1,2,4-triazol-1-yl)pyridazin-3-yl)-N-(2-(trifluoromethyl)phenyl)piperidine-4-carboxamide
N-((5-(thiophen-3-yl)pyridin-3-yl)methyl)benzo[d][1,3]dioxole-5-carboxamide
N-((5-(thiophen-3-yl)pyridin-3-yl)methyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
N-((5-(thiophen-3-yl)pyridin-3-yl)methyl)benzo[c][1,2,5]thiadiazole-5-carboxamide
2-(4-(isopropylthio)phenyl)-N-((5-(thiophen-3-yl)pyridin-3-yl)methyl)acetamide
3-(phenylsulfonyl)-N-((5-(thiophen-3-yl)pyridin-3-yl)methyl)propanamide
2-(4-chlorophenoxy)-2-methyl-N-((5-(thiophen-3-yl)pyridin-3-yl)methyl)propanamide
1-(3,4-dimethylphenyl)-5-oxo-N-((5-(thiophen-3-yl)pyridin-3-yl)methyl)pyrrolidine-3-carboxamide
1-(4-(6-(1H-1,2,4-triazol-1-yl)pyridazin-3-yl)piperazin-1-yl)-2-cyclopentylethanone
N-((5-(thiophen-3-yl)pyridin-3-yl)methyl)cyclohex-3-enecarboxamide

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