1-ETHYL-6-((p-(p-((1-ETHYLQUINOLINIUM-6-YL)CARBAMOYL)BENZAMIDO)BENZAMIDO)QUINOLINIUM), DI-p-TOLUENE SULFONATE

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Names

[ CAS No. ]:
16758-28-4

[ Name ]:
1-ETHYL-6-((p-(p-((1-ETHYLQUINOLINIUM-6-YL)CARBAMOYL)BENZAMIDO)BENZAMIDO)QUINOLINIUM), DI-p-TOLUENE SULFONATE

Chemical & Physical Properties

[ Molecular Formula ]:
C₄₄H₄₀N₅O₆S+

[ Molecular Weight ]:
766.88300

[ Exact Mass ]:
766.27000

[ PSA ]:
160.64000

[ LogP ]:
8.56360

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: VC3676100

CHEMICAL NAME :: Quinolinium, 1-ethyl-6-(p-(p-((1-ethylquinolinium-6-yl)carbamoyl)b enzamido)benzamido)-, di-p-toluenesulfonate

CAS REGISTRY NUMBER :: 16758-28-4

LAST UPDATED :: 199409

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C37-H33-N5-O3.2C7-H7-O3-S

MOLECULAR WEIGHT :: 938.15

WISWESSER LINE NOTATION :: T66 BKJ B2 HMVR DVMR DVM- HT66 BKJ B2 &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 :: 45 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 :: 370 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

4-(1-Amino-4,4-difluorocyclohexyl)-2,6-dimethoxyphenol
3-(1-Amino-2,2-difluorocyclopropyl)-4-nitrophenol
[1-(2,6-Dichloropyridin-4-yl)-2,2-difluorocyclopropyl]methanamine
1-(3,6-Dichloropyridazin-4-yl)-2,2-difluorocyclopropan-1-amine
3-(1-Benzothiophen-2-yl)-2,2-difluoropropanoic acid
(4,4-Difluoro-1-{pyrazolo[1,5-a]pyridin-3-yl}cyclohexyl)methanamine
1-{5-Chlorothieno[3,2-b]pyridin-2-yl}-2,2,2-trifluoroethan-1-amine
1,1-Difluoro-2-methyl-3-[4-(morpholin-4-yl)phenyl]propan-2-amine
2,2-Difluoro-2-(2-methoxy-6-methylpyridin-4-yl)ethan-1-ol
4-(1H-indol-7-yl)-1,3-thiazol-2-amine

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