Iopamidol EP impurity E
Basic information
- CAS
60166-92-9- Standard SMILES
CC(=O)O[C@@H](C)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I- InChIKey
QQRCHDDLZAECOQ-ZETCQYMHSA-N- Molecular formula
- C19H24I3N3O9
- Average molar mass
- 819.1 g/mol
- Monoisotopic mass
- 818.8647
Names & identifiers
- Preferred name
- Iopamidol EP impurity E
- IUPAC
- [(2S)-1-[3,5-bis(1,3-dihydroxypropan-2-ylcarbamoyl)-2,4,6-triiodoanilino]-1-oxopropan-2-yl] acetate
- English name
- Iopamidol EP impurity E
- Molecular formula
- C19H24I3N3O9
- Molecular weight
- 819.12
Names & synonyms
60166-92-9Iopamidol EP impurity E(S)-1-((3,5-BIS((1,3-DIHYDROXYPROPAN-2-YL)CARBAMOYL)-2,4,6-TRIIODOPHENYL)AMINO)-1-OXOPROPAN-2-YL ACETATE5-?[[(2S)?-?2-?(Acetyloxy)?-?1-?oxopropyl]?amino]?-?N,?N'-?bis[2-?hydroxy-?1-?(hydroxymethyl)?ethyl]?-?2,?4,?6-?triiodo-1,?3-?benzenedicarboxamide?(Iopamidol EP Impurity E)ZB4YQ7PGP3SCHEMBL7050768DTXSID401103576F81344[(2S)-1-[3,5-bis(1,3-dihydroxypropan-2-ylcarbamoyl)-2,4,6-triiodoanilino]-1-oxopropan-2-yl] acetate1,3-Benzenedicarboxamide, 5-[[(2S)-2-(acetyloxy)-1-oxopropyl]amino]-N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-1,3-Benzenedicarboxamide, 5-[[(2S)-2-(acetyloxy)-1-oxopropyl]amino]-N,Na(2)-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-1,3-Benzenedicarboxamide, 5-[[2-(acetyloxy)-1-oxopropyl]amino]-N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-2,4,6-triiodo-, (S)-
Show more names
Iopanol EP Impurity EIodipamide EP Impurity EIodopamide EP impurity EO-Acetyl Iopamidol / APADIIopamidol Impurity 5(Iopamidol EP Impurity E)5-?[[(2S)?-?2-?(Acetyloxy)?-?1-?oxopropyl]?amino]?-?N,?N’(2S)-1-[3,5-Bis[(1,3-dihydroxypropan-2-yl)carbamoyl]-2,4,6-triiodoanilino]-1-oxopropan-2-yl acetate1,3-Benzenedicarboxamide, 5-[[(2S)-2-(acetyloxy)-1-oxopropyl]amino]-N,N′-bis[2-hydroxy-1-(hydroxymet-?bis[2-?hydroxy-?1-?(hydroxymethyl)?ethyl]?-?2,?4,?6-?triiodo-1,?3-?benzenedicarboxamide?(IopamidolEPImpurityE)
Database identifiers
- CAS
60166-92-9- PubChem CID
- 9853974
- DTXSID
DTXSID401103576- UNII
- ZB4YQ7PGP3
- EC Number
- 611-941-7
Properties
Computed structural properties
- XLogP
- -1.8
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 684
Physicochemical properties
- Boiling point
- 788.4 · 788.4±60.0 °C(Predicted)
- Density
- 2.157 · 2.157±0.06 g/cm3(Predicted)
- pka
- 10.28 · 10.28±0.70(Predicted)
- Major Application
- pharmaceutical small molecule
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesIopamidol EP Impurity E is an impurity of and is used to synthesize Iopamidol (I735600).
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Compound notes
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