CAS 93957-54-1|Lescol|(3R,5S)-7-[3-(4-fluorophenyl)-1-isopropylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid|(3R,5S)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid|...

General Information

Structure

Molecular Formula

C₂₄H₂₆FNO₄

Molecular Mass

411.4659432

Exact Mass

411.18458654

Charge

InChI

InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/t18-,19-/m1/s1

InChIKey

FJLGEFLZQAZZCD-RTBURBONSA-N

Canonic Smiles

OC(=O)C[C@@H](C[C@@H](/C=C/c1c(c2ccc(cc2)F)c2c(n1C(C)C)cccc2)O)O

Isomeric Smiles

O=C(O)C[C@H](O)C[C@H](O)/C=C/c1c(c2ccccc2n1C(C)C)c1ccc(F)cc1

Calculated Properties

JChem

Acid pKa

4.55701

H Acceptors

H Donor

LogD (pH = 5.5)

2.837187

LogD (pH = 7.4)

1.0636245

Log P

3.8259492

Molar Refractivity

114.8553

Polarizability

46.041786

Polar Surface Area

82.69

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

Brand Name

Lescol

IUPAC Traditional name

(3R,5S)-7-[3-(4-fluorophenyl)-1-isopropylindol-2-yl]-3,5-dihydroxyhept-6-enoic acid (3R,5S)-fluvastatin

IUPAC name

(3R,5S)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid

Synonyms

Fluvastatin(3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid

Names and Identifiers

Registration numbers

Wikipedia Title

Chemspider ID

Medline Plus

CHEMBL