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