20302-25-4

20302-25-4 structure
20302-25-4 structure

Name 4-[(E)-3-[4-(1-ethylpyridin-1-ium-3-yl)anilino]-3-oxoprop-1-enyl]-N-[4-(1-ethylpyridin-1-ium-3-yl)phenyl]benzamide,4-methylbenzenesulfonate
Molecular Formula C43H41N4O5S+
Molecular Weight 725.87400
Exact Mass 725.28000
PSA 131.54000
LogP 8.66550

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