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Fluvastatin Methyl Ester

CAT: 0931-T21042-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T21042-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93957-53-0
Target
Others
Related Pathways
Others
Bioactivity
Fluvastatin Methyl Ester is a precursor of Fluvastatin, a blocker of the enzyme HMG-CoA reductase in liver.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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Alternative Products

CatalogName
TRC-F601275-100MGFluvastatin Methyl Ester
CS-T-97497Fluvastatin-d6 Methyl Ester
sc-489908Rac-Fluvastatin Methyl Ester
TRC-F601285-1Grac-Fluvastatin Methyl Ester (mixture of diastereomers)
AR-F10652-01Fluvastatin Ethyl Boronate Ester
276443-01(3R,5S) -Fluvastatin tert-butyl ester
TRC-F601270-1MG(3R,5S)-Fluvastatin tert-Butyl Ester
450261Fluvastatin N-Ethyl O-tert-Butyl Ester
sc-489905(3R,5S) -Fluvastatin-d7 tert-Butyl Ester
427992-01(3R,5S) -rel-Fluvastatin-d7 tert-Butyl Ester

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