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63941-73-1, Ioglucol,
CAS:63941-73-1
C18H24I3N3O9 / 807.111
| CAS Number | 63941-73-1 |
| Product Name | Ioglucol |
| IUPAC Name | 3-[acetyl(2-hydroxyethyl)amino]-2,4,6-triiodo-N-methyl-5-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]benzamide |
| Molecular Formula | C18H24I3N3O9 |
| Molecular Weight | 807.11 g/mol |
| InChI | InChI=1S/C18H24I3N3O9/c1-6(27)24(3-4-25)13-10(20)8(17(32)22-2)9(19)12(11(13)21)23-18(33)16(31)15(30)14(29)7(28)5-26/h7,14-16,25-26,28-31H,3-5H2,1-2H3,(H,22,32)(H,23,33)/t7-,14-,15+,16-/m1/s1 |
| InChI Key | MKMHLTWTZQIVCH-SFNQMWQSSA-N |
| SMILES | CC(=O)N(CCO)C1=C(C(=C(C(=C1I)NC(=O)C(C(C(C(CO)O)O)O)O)I)C(=O)NC)I |
| Canonical SMILES | CC(=O)N(CCO)C1=C(C(=C(C(=C1I)NC(=O)C(C(C(C(CO)O)O)O)O)I)C(=O)NC)I |
| Isomeric SMILES | CC(=O)N(CCO)C1=C(C(=C(C(=C1I)NC(=O)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)I)C(=O)NC)I |
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