API0232553

2-Hydroxystilbamidine diisethionate

2-Hydroxystilbamidine diisethionate was formerly used in the treatment of trypanosomiasis.

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Pharm Gradet

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CAS No.

533-22-2
Synonyms

hydroxystilbamidine isethionate; 2-Hydroxystilbamidine diisethionate; 2-HydroxystilbamidineDiisethionate
CHEMBL ID

CHEMBL2023895
Molecule Type

Small molecule
Compound CID

135577894

Molecular Weight (g/mol)

532.6
Molecular Formula

C20H28N4O9S2
InChI

InChI=1S/C16H16N4O.2C2H6O4S/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21;2*3-1-2-7(4,5)6/h1-9,21H,(H3,17,18)(H3,19,20);2*3H,1-2H2,(H,4,5,6)/b4-1+;;
InChIKey

XVTQTNAKZYLTNZ-HFPMQDOPSA-N
SMILES

C1=CC(=CC=C1/C=C/C2=C(C=C(C=C2)C(=N)N)O)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O
IUPAC Name

4-[(E)-2-(4-carbamimidoylphenyl)ethenyl]-3-hydroxybenzenecarboximidamide;2-hydroxyethanesulfonic acid
Exact Mass (Da)

532.12977083
Monoisotopic Mass (Da)

532.12977083

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