N-Desmethyl iomeprol

C₁₆H₂₀I₃N₃O₈CAS 77868-40-7763.06 g/mol

Open in Covalent MOL file

Alcohol Amide Aryl halide

Properties

Molecular formula: C₁₆H₂₀I₃N₃O₈
Molar mass: 763.06 g/mol
Exact mass: 762.8385 Da
logP: -1.40Crippen estimate
Polar surface area: 188.4 Å²
H-bond donors / acceptors: 8 / 8
Rotatable bonds: 10

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

77868-40-7

SMILES

C(C(CO)O)NC(=O)C1=C(C(=C(C(=C1I)NC(=O)CO)I)C(=O)NCC(CO)O)I

InChIKey

ZPJJDGLVOWPGAN-UHFFFAOYSA-N

InChI

InChI=1S/C16H20I3N3O8/c17-11-9(15(29)20-1-6(26)3-23)12(18)14(22-8(28)5-25)13(19)10(11)16(30)21-2-7(27)4-24/h6-7,23-27H,1-5H2,(H,20,29)(H,21,30)(H,22,28)

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Work with N-Desmethyl iomeprol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Iomeprol78649-41-934 % similar As7030261236699-92-534 % similar Ioversol87771-40-233 % similar (R)-(+)-4-Hydroxy-2-pyrrolidinone22677-21-033 % similar (S)-4-Hydroxy-2-pyrrolidinone68108-18-933 % similar 5-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide31127-80-732 % similar 5-Amino-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide76801-93-932 % similar Iohexol66108-95-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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