N6-(4-Azido-2-Hydroxy-5-(Iodo-125I)Benzoyl)-N2'-(4-(((2,4-Diamino-6-Pteridinyl)Methyl)Methylamino)Benzoyl)-L-Lysine
[CAS# 108919-01-3]

Identification

• Name: N6-(4-Azido-2-Hydroxy-5-(Iodo-125I)Benzoyl)-N2'-(4-(((2,4-Diamino-6-Pteridinyl)Methyl)Methylamino)Benzoyl)-L-Lysine
• Synonyms: Lysine-Iodosalicylyl-Methotrexate; N(Alpha)-(4-Amino-4-Deoxy-10-Methylpteroyl)-N(Epsilon)-(4-Azido-5-Iodosalicylyl)Lysine; N6-(4-Azido-2-Hydroxy-5-(Iodo-125I)Benzoyl)-N2'-(4-(((2,4-Diamino-6-Pteridinyl)Methyl)Methylamino)Benzoyl)-L-Lysine
• Molecular Formula: C₂₈H₂₉IN₁₂O₅
• Molecular Weight: 740.52
• CAS Registry Number: 108919-01-3
• SMILES: [C@H](C(=O)O)(NC(C1=CC=C(C=C1)N(C)CC3=NC2=C(N=C(N=C2N=C3)N)N)=O)CCCCNC(C4=CC(=C(C=C4O)N=[N+]=[N-])[125I])=O
• InChI: 1S/C28H29IN12O5/c1-41(13-15-12-34-24-22(35-15)23(30)37-28(31)38-24)16-7-5-14(6-8-16)25(43)36-19(27(45)46)4-2-3-9-33-26(44)17-10-18(29)20(39-40-32)11-21(17)42/h5-8,10-12,19,42H,2-4,9,13H2,1H3,(H,33,44)(H,36,43)(H,45,46)(H4,30,31,34,37,38)/t19-/m0/s1/i29-2
• InChIKey: UUWWSJGDUVBELF-PDXBUTOOSA-N