Pyrimidinium, 4, 4-[terephthaloylbis(imino-p-phenyleneimino)]bis-(2-amino-1-ethyl- , di-p-toluenesulfonate, hemihydrate

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Names

[ CAS No. ]:
20719-29-3

[ Name ]:
Pyrimidinium, 4, 4-[terephthaloylbis(imino-p-phenyleneimino)]bis-(2-amino-1-ethyl- , di-p-toluenesulfonate, hemihydrate

Chemical & Physical Properties

[ Molecular Formula ]:
C39H41N10O5S+

[ Molecular Weight ]:
761.87200

[ Exact Mass ]:
761.29800

[ PSA ]:
233.42000

[ LogP ]:
7.68190

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UW5976720
CHEMICAL NAME :
Pyrimidinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(2- amino-1-ethyl-, di-p- toluenesulfonate
CAS REGISTRY NUMBER :
20719-29-3
LAST UPDATED :
199409
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C32-H34-N10-O2.2C7-H7-O3-S
MOLECULAR WEIGHT :
933.16
WISWESSER LINE NOTATION :
T6K CNJ A2 BZ F1 DMR DMVR DVMR DM- DT6K CNJ A2 BZ F1 &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 :
112 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 :
450 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

  • L-Arginine, 5-chloro-2-(2-((2R,5S)-4-((4-fluorophenyl)methyl)-2,5-dimethyl-1-piperazinyl)-2-oxoethoxy)benzenemethanesulfonate (1:1)
  • 2-{7-methyl-5-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl}-N-[(oxolan-2-yl)methyl]acetamide
  • N-(4-methoxybenzyl)-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
  • 2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)-N-(pyridin-3-ylmethyl)acetamide
  • 2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)-N-(pyridin-2-ylmethyl)acetamide
  • 2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)-N-phenethylacetamide
  • N-(3,4-dimethoxyphenethyl)-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
  • 2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)-N-(p-tolyl)acetamide
  • N-(4-(dimethylamino)phenyl)-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
  • N-(3,4-difluorophenyl)-2-(7-methyl-5-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidin-3-yl)acetamide
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