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

Ethyl 2-(2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
ethyl 2-(2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamido)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
3-((4-methylbenzyl)thio)-[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one
N-(4-chlorophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
N-(4-bromophenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
N-(3-chloro-4-methylphenyl)-2-((7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamide
Diethyl 3-methyl-5-(2-((5-methyl-7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetamido)thiophene-2,4-dicarboxylate
Methyl 2-((5-methyl-7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetate
Ethyl 2-((5-methyl-7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)acetate
Ethyl 2-((5-methyl-7-oxo-7,8-dihydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio)propanoate

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