
API0231701
Iohexol
Ioflupane I-123 is a diagnostic agent.
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CAS No.
66108-95-0
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Synonyms
iohexol; 66108-95-0; Iohexolum
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CHEMBL ID
CHEMBL1200455
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Indications
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Molecule Type
Small molecule
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Compound CID
3730
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Molecular Weight (g/mol)
821.1
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Molecular Formula
C19H26I3N3O9
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InChI
InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)
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InChIKey
NTHXOOBQLCIOLC-UHFFFAOYSA-N
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SMILES
CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
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IUPAC Name
5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
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Exact Mass (Da)
820.8803
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Monoisotopic Mass (Da)
820.8803
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