4-methylbenzenesulfonate,(E)-3-[4-[(E)-3-oxo-3-[4-[(1-propylpyridin-1-ium-4-yl)amino]anilino]prop-1-enyl]phenyl]-N-[4-[(1-propylpyridin-1-ium-4-yl)amino]phenyl]prop-2-enamide

Names

[ Name ]:
4-methylbenzenesulfonate,(E)-3-[4-[(E)-3-oxo-3-[4-[(1-propylpyridin-1-ium-4-yl)amino]anilino]prop-1-enyl]phenyl]-N-[4-[(1-propylpyridin-1-ium-4-yl)amino]phenyl]prop-2-enamide

[Synonym ]:
Pyridinium,4,4'-(p-phenylenebis(acryloylimino-p-phenyleneimino))bis(1-propyl-,di-p-toluenesulfonate

Chemical & Physical Properties

[ Molecular Formula ]:
C₅₄H₅₆N₆O₈S₂

[ Molecular Weight ]:
981.18800

[ Exact Mass ]:
980.36000

[ PSA ]:
221.18000

[ LogP ]:
12.12440

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UU6856300

CHEMICAL NAME :: Pyridinium, 4,4'-(p-phenylenebis(acryloylimino-p-phenyleneimino)) bis(1-propyl-, di-p-toluenesulfonate

CAS REGISTRY NUMBER :: 102584-20-3

LAST UPDATED :: 199409

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C40-H42-N6-O2.2C7-H7-O3-S

MOLECULAR WEIGHT :: 981.28

WISWESSER LINE NOTATION :: T6KJ A3 DMR DMV1U1R D1U1VMR DM- DT6KJ A3 &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 :: 25 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 :: 310 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

Formamide, N-hydroxy-N-(tetrahydro-4-(((4-(4-(trifluoromethoxy)phenoxy)phenyl)sulfonyl)methyl)-2H-pyran-4-yl)-
2-Ethyl-5-((4-(2-hydroxyethyl)piperazin-1-yl)(p-tolyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol
2-Ethyl-5-((4-(2-hydroxyethyl)piperazin-1-yl)(3-methoxyphenyl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol
5-((4-Ethoxyphenyl)(4-(2-hydroxyethyl)piperazin-1-yl)methyl)-2-ethylthiazolo[3,2-b][1,2,4]triazol-6-ol
2-Ethyl-5-((4-(2-hydroxyethyl)piperazin-1-yl)(thiophen-2-yl)methyl)thiazolo[3,2-b][1,2,4]triazol-6-ol
Ethyl 4-((2-ethyl-6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)(phenyl)methyl)piperazine-1-carboxylate
Ethyl 4-((3-chlorophenyl)(2-ethyl-6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)piperazine-1-carboxylate
Ethyl 4-((4-bromophenyl)(2-ethyl-6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)methyl)piperazine-1-carboxylate
Ethyl 4-((2-ethyl-6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)(4-nitrophenyl)methyl)piperazine-1-carboxylate
Ethyl 4-((2-ethyl-6-hydroxythiazolo[3,2-b][1,2,4]triazol-5-yl)(m-tolyl)methyl)piperazine-1-carboxylate

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