Atorvastatin epoxy tetrahydrofuran impurity

C₂₆H₂₄FNO₅CAS 873950-19-7449.48 g/mol

Open in Covalent MOL file

Alcohol Amide Aryl halide Epoxide Ether

Properties

Molecular formula: C₂₆H₂₄FNO₅
Molar mass: 449.48 g/mol
Exact mass: 449.1639 Da
logP: 3.65Crippen estimate
Polar surface area: 91.3 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 5

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

873950-19-7

SMILES

CC(C)C1(C2(C(O2)(C(O1)(C3=CC=C(C=C3)F)O)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5)O

InChIKey

NNEBPPHOMFPLDK-UHFFFAOYSA-N

InChI

InChI=1S/C26H24FNO5/c1-17(2)25(30)24(22(29)28-21-11-7-4-8-12-21)23(32-24,18-9-5-3-6-10-18)26(31,33-25)19-13-15-20(27)16-14-19/h3-17,30-31H,1-2H3,(H,28,29)

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Names and synonyms

1 names

4-(4-Fluorophenyl)-2,4-dihydroxy-2-isopropyl-N,5-diphenyl-3,6-dioxabicyclo [3.1.0]hexane-1-carboxamide

Work with Atorvastatin epoxy tetrahydrofuran impurity

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

Atorvastatin cyclic sodium salt (isopropyl) impurity1316291-19-648 % similar 1-(4-Fluorophenylcarbamoyl)cyclopropanecarboxylic acid849217-48-735 % similar Atorvastatin lactam sodium salt impurity148217-40-735 % similar

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

Elsewhere

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