API0231734
Ioxaglate Meglumine
Ioversol is a contrast agent.
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CAS No.
59018-13-2
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Synonyms
IOXAGLATE MEGLUMINE; MEGLUMINE IOXAGLATE; 59018-13-2
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CHEMBL ID
CHEMBL1200508
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Compound CID
20055342
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Molecular Weight (g/mol)
1464.1
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Molecular Formula
C31H38I6N6O13
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InChI
InChI=1S/C24H21I6N5O8.C7H17NO5/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43;1-8-2-4(10)6(12)7(13)5(11)3-9/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1
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InChIKey
HUHDYASLFWQVOL-WZTVWXICSA-N
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SMILES
CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
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IUPAC Name
3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
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Exact Mass (Da)
1463.6765
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Monoisotopic Mass (Da)
1463.6765
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