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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
86
Total Number of Articles : 110
|
| PubChem |
3730
|
| Molecular Formula |
C19H26I3N3O9 |
| 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 |
| 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) |
| synonyms |
- iohexol
- 66108-95-0
- Iohexolum
- Omnipaque 240
- Omnipaque 70
- Omnipaque 140
- Omnipaque 180
- Omnipaque 210
- Omnipaque 300
- Omnipaque 350
- Oraltag
- WIN 39424
- WIN-39424
- Iohexolum [INN-Latin]
- CHEBI:31709
- EINECS 266-164-2
- BRN 2406632
- N,N'-Bis(2,3-dihydroxypropyl)-5-(N-(2,3-dihydroxypropyl)acetamido)-2,4,6-triiodoisophthalamide
- DTXSID6023157
- UNII-4419T9MX03
- 4419T9MX03
- NSC-759636
- DTXCID803157
- EC 266-164-2
- Iohexol [USAN:USP:INN:BAN:JAN]
- NSC 759636
- 1,3-Benzenedicarboxamide, 5-(acetyl(2,3-dihydroxypropyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-
- Iohexolum (INN-Latin)
- IOHEXOL (MART.)
- IOHEXOL [MART.]
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| Properties |
| Property |
Value |
| MW |
821.1 g/mol |
| HBD |
8 |
| HBA |
9 |
| Rotatable Bond Count |
12 |
| Exact Mass |
820.8803 g/mol |
| Monoisotopic Mass |
820.8803 g/mol |
| Heavy Atom Count |
34 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
3 |
| Covalent Unit Count |
1 |
| Complexity |
653 |
| xlogp |
-3 |
| Topological Polar Surface Area |
200 |
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