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

名称

[ 英文名 ]:
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

[英文别名 ]:

物理化学性质

[ 分子式 ]:
C₅₄H₅₆N₆O₈S₂

[ 分子量 ]:
981.18800

[ 精确质量 ]:
980.36000

[ PSA ]:
221.18000

[ LogP ]:
12.12440

毒性和生态

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