chempirical

Atorvastatin lactam sodium salt impurity

C33H34FN2NaO6CAS 148217-40-7596.63 g/mol

Open in Covalent MOL file
NOOO−OHOHFOHNNa+
AlcoholAlkeneAmideAryl halideCarboxylic acidLactam

Properties

Molecular formula
C33H34FN2NaO6
Molar mass
596.63 g/mol
Exact mass
596.2299 Da
logP
0.46Crippen estimate
Polar surface area
130.0 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
12
Stereocentres
R, Rin SMILES atom order

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
148217-40-7
SMILES
CC(C)C1(C(=C(N(C1=O)CC[C@H](C[C@H](CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Na+]
InChIKey
AWDUSRYVYMXRPW-LGZZEMPASA-M
InChI
InChI=1S/C33H35FN2O6.Na/c1-21(2)33(31(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)30(23-13-15-24(34)16-14-23)36(32(33)42)18-17-26(37)19-27(38)20-28(39)40;/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;+1/p-1/t26-,27-,33?;/m1./s1

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Work with Atorvastatin lactam sodium salt 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) impurity1316291-19-652 % similar Atorvastatin sodium134523-01-645 % similar 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-, calcium salt (2:1), (βS,δS)-1105067-88-641 % similar Atorvastatin calcium134523-03-841 % similar Atorvastatin hemicalcium trihydrate344423-98-940 % similar Fluvastatin sodium93957-55-235 % similar 2-Hydroxy atorvastatin calcium salt265989-46-635 % similar Calcium bis((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-5-hydroxy-3-methoxyheptanoate)887196-29-435 % similar

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

Elsewhere

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