tert-Buthyl pitavastatin

C₂₉H₃₂FNO₄CAS 586966-54-3477.58 g/mol

Open in Covalent MOL file

Alcohol Alkene Aryl halide Ester

Properties

Molecular formula: C₂₉H₃₂FNO₄
Molar mass: 477.58 g/mol
Exact mass: 477.2315 Da
logP: 5.78Crippen estimate
Polar surface area: 79.7 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 8
Stereocentres: R, Sin SMILES atom order
Double bonds: EE/Z, in SMILES 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

586966-54-3

SMILES

CC(C)(C)OC(=O)C[C@@H](C[C@@H](/C=C/C1=C(C2=CC=CC=C2N=C1C3CC3)C4=CC=C(C=C4)F)O)O

InChIKey

RCARMBIYAHBUHR-UQECUQMJSA-N

InChI

InChI=1S/C29H32FNO4/c1-29(2,3)35-26(34)17-22(33)16-21(32)14-15-24-27(18-10-12-20(30)13-11-18)23-6-4-5-7-25(23)31-28(24)19-8-9-19/h4-7,10-15,19,21-22,32-33H,8-9,16-17H2,1-3H3/b15-14+/t21-,22-/m1/s1

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Names and synonyms

1 names

tert-Butyl pitavastatin

Work with tert-Buthyl pitavastatin

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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