N,N-bis[4-[(2-amino-1-methyl-pyrimidin-4-yl)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid

Modify Date: 2024-03-03 16:50:00

N,N-bis[4-[(2-amino-1-methyl-pyrimidin-4-yl)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid Structure
N,N-bis[4-[(2-amino-1-methyl-pyrimidin-4-yl)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid structure
Common Name N,N-bis[4-[(2-amino-1-methyl-pyrimidin-4-yl)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid
CAS Number 20814-50-0 Molecular Weight 733.81900
Density N/A Boiling Point N/A
Molecular Formula C37H37N10O5S+ Melting Point N/A
MSDS N/A Flash Point N/A

 Names

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

 Chemical & Physical Properties

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

 Toxicological Information

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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