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China
Product Name: N,N-bis[4-[(2-amino-1-methyl-pyrimidin-4-yl)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid
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20814-50-0

20814-50-0 structure

20814-50-0 structure

Name: N,N-bis[4-[(2-amino-1-methyl-pyrimidin-4-yl)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid
Chemical Name: mono(4,4'-(((terephthaloylbis(azanediyl))bis(4,1-phenylene))bis(azanediyl))bis(2-amino-1-methylpyrimidin-1-ium)) mono(4-methylbenzenesulfonate)
CAS Number: 20814-50-0
Molecular Formula: C₃₇H₃₇N₁₀O₅S+
Molecular Weight: 733.81900
Create Date: 2017-08-19 21:02:55
Modify Date: 2025-09-18 19:47:51

Name	mono(4,4'-(((terephthaloylbis(azanediyl))bis(4,1-phenylene))bis(azanediyl))bis(2-amino-1-methylpyrimidin-1-ium)) mono(4-methylbenzenesulfonate)

Molecular Formula	C₃₇H₃₇N₁₀O₅S+
Molecular Weight	733.81900
Exact Mass	733.26700
PSA	233.42000
LogP	6.71610

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UW5976740

CHEMICAL NAME :: Pyrimidinium, 4,4'-(terephthaloylbis(imino-p-phenyleneimino))bis(2- amino-1-methyl-, di-p-toluenesulfonate

CAS REGISTRY NUMBER :: 20814-50-0

LAST UPDATED :: 199409

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C30-H30-N10-O2.2C7-H7-O3-S

MOLECULAR WEIGHT :: 905.10

WISWESSER LINE NOTATION :: T6K CNJ A1 BZ F1 DMR DMVR DVMR DM- DT6K CNJ A1 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 :: 75 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

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