Basic information
- CAS
136880-97-2- Standard SMILES
O=C(NCO)c1c(I)c(C(=O)NCCO)c(I)c(N(CC(O)CO)C(=O)C(O)CO)c1I- InChIKey
JYGODJAOUUSBPH-UHFFFAOYSA-N- Molecular formula
- C17H22I3N3O9
- Average molar mass
- 793.1 g/mol
- Monoisotopic mass
- 792.849
Overview
structure given in first source; MRI contrast medium
Names & identifiers
- Preferred name
- P 569
- IUPAC
- 5-[2,3-dihydroxypropanoyl(2,3-dihydroxypropyl)amino]-1-N-(2-hydroxyethyl)-3-N-(hydroxymethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
- English name
- P 569
- Molecular formula
- C17H22I3N3O9
- Molecular weight
- 793.08
Names & synonyms
136880-97-2P 569P-569RefChem:1692105-[2,3-dihydroxypropanoyl(2,3-dihydroxypropyl)amino]-1-N-(2-hydroxyethyl)-3-N-(hydroxymethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide1,3-Benzenedicarboxamide, 5-((2,3-dihydroxy-1-oxopropyl)(2,3-dihydroxypropyl)amino)-N-(2-hydroxyethyl)-N'-(hydroxymethyl)-2,4,6-triiodo-orb1695774DTXSID60874946AKOS040753409T338535-[(2,3-Dihydroxy-1-oxopropyl)(2,3-dihydroxypropyl)amino]-N1-(2-hydroxyethyl)-N3-(hydroxymethyl)-2,4,6-triiodo-1,3-benzenedicarboxamide5-[N-(2,3-Dihydroxypropyl)-2,3-dihydroxypropanamido]-N~1~-(2-hydroxyethyl)-N~3~-(hydroxymethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Show more names
1,3-Benzenedicarboxamide, 5-[(2,3-dihydroxy-1-oxopropyl)(2,3-dihydroxypropyl)amino]-N1-(2-hydroxyethyl)-N3-(hydroxymethyl)-2,4,6-triiodo-
Properties
Computed structural properties
- XLogP
- -3
- Topological polar surface area
- 200 Ų
- Hydrogen bond donors
- 8
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 648
Chemistry & industry
Applications
DescriptionP 569 is an MRI contrast medium.
Suppliers1 total
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
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Compound notes
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