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Substance Name: Quinazolinium, 6-amino-1-methyl-4-((4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-, salt with 4-methylbenzenesulfonic acid (1:2)
RN: 50309-00-7
InChIKey: IZPRCXCGHVRMDI-HDWIJETFSA-O
Classification Codes
- Drug / Therapeutic Agent
- Mutation Data
Molecular Formula
- C28-H27-N7-O.2C7-H7-O3-S
Molecular Weight
- 820.968
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Names and Synonyms
- Quinazolinium, 6-amino-1-methyl-4-((4-(((4-((1-methylpyridinium-4-yl)amino)phenyl)amino)carbonyl)phenyl)amino)-, salt with 4-methylbenzenesulfonic acid (1:2)
Registry Numbers
CAS Registry Number
- 50309-00-7
System Generated Number
- 0050309007
Molecular Formulas
Molecular Formula
- C28-H27-N7-O.2C7-H7-O3-S
Molecular Formula Fragments
- C28-H27-N7-O
- C7-H7-O3-S
- COMPONENT
Structure Descriptors
InChI
1S/C28H25N7O.2C7H8O3S/c1-34-15-13-24(14-16-34)31-21-8-10-23(11-9-21)33-28(36)19-3-6-22(7-4-19)32-27-25-17-20(29)5-12-26(25)35(2)18-30-27;2*1-6-2-4-7(5-3-6)11(8,9)10/h3-18H,29H2,1-2H3,(H,33,36);2*2-5H,1H3,(H,8,9,10)/p+1/b32-27+;;InChIKey
IZPRCXCGHVRMDI-HDWIJETFSA-OSmiles
c1(ccc(C)Toxicity
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD10 | intraperitoneal | 3mg/kg (3mg/kg) | Journal of Medicinal Chemistry. Vol. 22, Pg. 134, 1979. |