MIBG hemisulfate
[CAS# 87862-25-7]

Identification

• Name: MIBG hemisulfate
• Synonyms: Iobenguane sulfate; M-Iodobenzylguanidine hemisulfate; 3-Iodobenzyl-guanidine hemisulfate; 3-Iodobenzylguanidine hemisulfate; 2-[(3-iodophenyl)methyl]guanidine sulfuric acid
• Molecular Formula: C₁₆H₂₂I₂N₆O₄S
• Molecular Weight: 648.30
• CAS Registry Number: 87862-25-7
• SMILES: C1=CC(=CC(=C1)I)CN=C(N)N.C1=CC(=CC(=C1)I)CN=C(N)N.OS(=O)(=O)O
• InChI: 1S/2C8H10IN3.H2O4S/c2*9-7-3-1-2-6(4-7)5-12-8(10)11;1-5(2,3)4/h2*1-4H,5H2,(H4,10,11,12);(H2,1,2,3,4)
• InChIKey: XNACDNPGABUBFR-UHFFFAOYSA-N