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Fluvastatin Methyl Ester

CAT: 0013-GTR19201928-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201928-01Size:25 mg
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Description
Fluvastatin Methyl Ester is a synthetic precursor to the HMG-CoA reductase inhibitor Fluvastatin. This compound is utilized in biochemical research to study cholesterol biosynthesis and statin metabolism in both in vitro enzymatic assays and in vivo pharmacological models.
CAS Number
93957-53-0
Field of Research
Pharmacology & Drug Discovery
Smiles
C (=C/[C@@H] (C[C@@H] (CC (OC) =O) O) O) \C1=C (C=2C (N1C (C) C) =CC=CC2) C3=CC=C (F) C=C3
Molecular Formula
C25H28FNO4
Molecular Weight
425.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Fluvastatin methyl ester
CAS Number93957-53-0
PubChem CID13741557
IUPAC Namemethyl (E,3S,5R)-7-[3-(4-fluorophenyl)-1-propan-2-ylindol-2-yl]-3,5-dihydroxyhept-6-enoate
Molecular FormulaC25H28FNO4
Molecular Weight425.5
XLogP3.8
Topological Polar Surface Area71.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity604
SMILES
CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@@H](C[C@@H](CC(=O)OC)O)O)C3=CC=C(C=C3)F
InChI
InChI=1S/C25H28FNO4/c1-16(2)27-22-7-5-4-6-21(22)25(17-8-10-18(26)11-9-17)23(27)13-12-19(28)14-20(29)15-24(30)31-3/h4-13,16,19-20,28-29H,14-15H2,1-3H3/b13-12+/t19-,20-/m0/s1
InChIKey
BOCZYIUKFAQNLG-DSJWGCTQSA-N
Chemical Structure
2D Structure
2D structure of Fluvastatin methyl ester
CAS: 93957-53-0
CID: 13741557
Formula: C25H28FNO4
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count9
Exact Mass425.20023654
Monoisotopic Mass425.20023654
Topological Polar Surface Area71.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity604
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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