Atorvastatin cyclic sodium salt (isopropyl) impurity

C₃₃H₃₄FN₂NaO₇CAS 1316291-19-6612.63 g/mol

Open in Covalent MOL file

Alcohol Amide Aryl halide Carboxylic acid Epoxide Ether Tertiary amine

Properties

Molecular formula: C₃₃H₃₄FN₂NaO₇
Molar mass: 612.63 g/mol
Exact mass: 612.2248 Da
logP: -0.37Crippen estimate
Polar surface area: 134.7 Å²
H-bond donors / acceptors: 3 / 8
Rotatable bonds: 9

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

1316291-19-6

SMILES

CC(C)C12C3(C(O3)(C(N1CCC(O2)CC(CC(=O)[O-])O)(C4=CC=C(C=C4)F)O)C5=CC=CC=C5)C(=O)NC6=CC=CC=C6.[Na+]

InChIKey

OWLRXFXFFHQDSQ-UHFFFAOYSA-M

InChI

InChI=1S/C33H35FN2O7.Na/c1-21(2)33-31(29(40)35-25-11-7-4-8-12-25)30(43-31,22-9-5-3-6-10-22)32(41,23-13-15-24(34)16-14-23)36(33)18-17-27(42-33)19-26(37)20-28(38)39;/h3-16,21,26-27,37,41H,17-20H2,1-2H3,(H,35,40)(H,38,39);/q;+1/p-1

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Work with Atorvastatin cyclic sodium salt (isopropyl) 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

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

Elsewhere

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