Quinolinium, 4-((p-(p-acetylphenyl)carbamoyl)anilino)-7-amino-1-methyl-, p-amidinohydrazone, p-toluenesulfonate, mono-p-toluenesulfonate

Base Information

• Chemical Name: Quinolinium, 4-((p-(p-acetylphenyl)carbamoyl)anilino)-7-amino-1-methyl-, p-amidinohydrazone, p-toluenesulfonate, mono-p-toluenesulfonate
• CAS No.: 50309-10-9
• Molecular Formula: C40H42N8O7S2
• Molecular Weight: 810.9409
• DSSTox Substance ID: DTXSID90198324
• ChEMBL ID: CHEMBL3230809

Synonyms:50309-10-9;Quinolinium, 4-((p-(p-acetylphenyl)carbamoyl)anilino)-7-amino-1-methyl-, p-amidinohydrazone, p-toluenesulfonate, mono-p-toluenesulfonate;CHEMBL3230809;DTXSID90198324;C26H27N8O.C7H7O3S.C7H8O3S;LS-142207

Chemical Property of Quinolinium, 4-((p-(p-acetylphenyl)carbamoyl)anilino)-7-amino-1-methyl-, p-amidinohydrazone, p-toluenesulfonate, mono-p-toluenesulfonate

Chemical Property:

• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 810.26178806
• Heavy Atom Count: 57
• Complexity: 1160

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=NN=C(N)N)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=[N+](C=C3)C)N
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)[O-].C/C(=N\N=C(N)N)/C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=[N+](C=C3)C)N

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