42013-69-4

42013-69-4 structure
42013-69-4 structure

Name 4-[(6-amino-1-ethylquinolin-1-ium-4-yl)amino]-N-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]benzamide,dibromide
Synonyms Cain quinolinium
Molecular Formula C31H32BrN6O+
Molecular Weight 584.52900
Exact Mass 583.18200
PSA 86.94000
LogP 3.58050

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VC3512400
CHEMICAL NAME :
Quinolinium, 6-amino-1-ethyl-4-(p-((p-((1-ethylpyridinium-4-yl)ami no)phenyl)carbamoyl) anilino)-, dibromide
CAS REGISTRY NUMBER :
42013-69-4
LAST UPDATED :
199409
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C31-H32-N6-O.2Br
MOLECULAR WEIGHT :
664.51
WISWESSER LINE NOTATION :
T66 BKJ B2 HZ EMR DVMR DM- DT6KJ A2 &E 2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD10 - Lethal Dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 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 :
690 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