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Hexocyclium Methylsulfate

Hexocyclium Methylsulfate

API0232407

Hexocyclium Methylsulfate

Hexaminolevulinate Hydrochloride is used for bladder cancer diagnosis.

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  • CAS No.

    115-63-9

  • Synonyms

    Hexocyclium metilsulfate; 115-63-9; Tral

  • CHEMBL ID

    CHEMBL1626570

  • Molecule Type

    Small molecule

  • Compound CID

    101587

  • Molecular Weight (g/mol)

    428.6

  • Molecular Formula

    C21H36N2O5S

  • InChI

    InChI=1S/C20H33N2O.CH4O4S/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19;1-5-6(2,3)4/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

  • InChIKey

    NSILVESQCSUIAJ-UHFFFAOYSA-M

  • SMILES

    C[N+]1(CCN(CC1)CC(C2CCCCC2)(C3=CC=CC=C3)O)C.COS(=O)(=O)[O-]

  • IUPAC Name

    1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol;methyl sulfate

  • Exact Mass (Da)

    428.23449343

  • Monoisotopic Mass (Da)

    428.23449343

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