N,N-bis[4-[(2-amino-1-methyl-pyrimidin-4-yl)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid
Suppliers
Names
[ CAS No. ]:
20814-50-0
[ Name ]:
N,N-bis[4-[(2-amino-1-methyl-pyrimidin-4-yl)amino]phenyl]benzene-1,4-dicarboxamide; 4-methylbenzenesulfonic acid
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