BRN 2800653
3-[[12-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-12-oxododecanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
| Molecular Formula | C30H32I6N4O8 |
|---|---|
| Molecular Weight | 1338.0 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 191.0 A2 |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 17 |
| Exact Mass | 1337.6488 |
| Heavy Atoms | 48 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 10397-78-1 |
|---|---|
| SMILES | CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCCCCCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I |
| InChIKey | WPTAMNDITBLLSY-UHFFFAOYSA-N |
📖 Product Overview
BRN 2800653 (CAS: 10397-78-1) is a chemical compound with molecular formula C30H32I6N4O8 and molecular weight 1338.0 g/mol. Its IUPAC systematic name is 3-[[12-[3-carboxy-2,4,6-triiodo-5-(methylcarbamoyl)anilino]-12-oxododecanoyl]amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid.
WPTAMNDITBLLSY-UHFFFAOYSA-N.
SMILES: CNC(=O)C1=C(C(=C(C(=C1I)NC(=O)CCCCCCCCCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NC)I)I)C(=O)O)I.
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