
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 81045-33-2 |
| Catalog No. | 2A-9010967 |
| Chinese Name | 5-[[3-[3,5-bis(1,3-dihydroxypropan-2-ylcarbamoyl)-N-(2-hydroxyethyl)-2,4,6-triiodoanilino]-3-oxoprop |
| Synonyms | Iodecimol; Iodecol; UNII-3SDG4RSP99; Iodecimol [INN-Latin] |
| Molecular Formula | C35H44I6N6O16 |
| Molecular Weight | 1566.18000 |
| Purity | 98.00 |
| Density | 2.328g/cm3 |
| Boiling Point | 1281.9ºC at 760 mmHg |
| SMILES | O=C(NC(CO)CO)c1c(I)c(C(=O)NC(CO)CO)c(I)c(N(CCO)C(=O)CC(=O)N(CCO)c2c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c2I)c1I |
| InChI | InChI=1S/C35H44I6N6O16/c36-24-20(32(60)42-14(6-50)7-51)26(38)30(27(39)21(24)33(61)43-15(8-52)9-53)46(1-3-48)18(58)5-19(59)47(2-4-49)31-28(40)22(34(62)44-16(10-54)11-55)25(37)23(29(31)41)35(63)45-17(12-56)13-57/h14-17,48-57H,1-13H2,(H,42,60)(H,43,61)(H,44,62)(H,45,63) |
| InChI Key | RHISTIGVAKTTCM-UHFFFAOYSA-N |
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