(3R,5S,E)-tert-butyl 7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate

HCID 53395166
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Basic information

Standard SMILES
CC(C)(C)OC(=O)CC(O)CC(O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1
InChIKey
RCARMBIYAHBUHR-UHFFFAOYSA-N
Molecular formula
C29H32FNO4
Average molar mass
477.6 g/mol
Monoisotopic mass
477.23153666

Names & identifiers

Preferred name
(3R,5S,E)-tert-butyl 7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
IUPAC
tert-butyl 7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate

Names & synonyms

Pitavastatin tert-Butyl EsterSCHEMBL355049SCHEMBL30645404RCARMBIYAHBUHR-UHFFFAOYSA-N(3R,5S,E)-tert-butyl 7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoateSB44327

Database identifiers

PubChem CID
53395166

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
79.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
35

Related reactions

1 records
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Compound notes

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