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

[ CAS No. ]:
102584-20-3

[ 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

  • N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-((difluoromethyl)thio)benzamide
  • N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-2-((difluoromethyl)sulfonyl)benzamide
  • N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-1-methyl-1H-1,2,3-triazole-4-carboxamide
  • 4-bromo-N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)thiophene-2-carboxamide
  • 1-(Bromomethyl)-1-(butan-2-yl)cyclobutane
  • N-(2-hydroxy-2-(thiophen-2-yl)propyl)-6-methoxy-1H-indole-2-carboxamide
  • 2-(3,5-dimethylisoxazol-4-yl)-N-(2-hydroxy-2-(thiophen-2-yl)propyl)acetamide
  • Hcl-glucose
  • 1-Cyclopropyl-1H-imidazole-4-carbaldehyde
  • 4-(2,4,6-Cycloheptatrien-1-ylidene)-2,5-cyclohexadien-1-one
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