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| IUPAC Name: | dimethyl 5-iodobenzene-1,3-dicarboxylate |
| Description: | Dimethyl 5-Iodoisophthalate (CAS# 51839-15-7) is used for succinimidyl 3-iodobenzoate (SIB) with DOTA as prosthetic group for multi-modal labeling enhancing tumor uptake of radiolabelled monoclonal antibodies (mAbs). |
| Molecular Weight: | 320.08 |
| Molecular Formula: | C10H9IO4 |
| Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)I)C(=O)OC |
| InChI: | InChI=1S/C10H9IO4/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5H,1-2H3 |
| InChI Key: | DIAONVDUSXRXCE-UHFFFAOYSA-N |
| Boiling Point: | 160 °C / 1 mmHg |
| Density: | 1.708 g/cm3 |
| Solubility: | 10 mg / 0.5 mL DCM |
| Appearance: | Light yellow to light brown powder |
| MDL: | MFCD00079753 |
| LogP: | 1.86440 |
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2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
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