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Fluvastatin Methyl Ester

CAT: 1596-AR-F01904-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F01904-03Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
786710-21-2
Synonyms
(3R,5S, E) -methyl7- (3- (4-fluorophenyl) -1-isopropyl-1H-indol-2-yl) -3,5-dihydroxyhept-6-enoate; methyl (3R,5S, E) -7- (3- (4-fluorophenyl) -1-isopropyl-1H-indol-2-yl) -3,5-dihydroxyhept-6-enoate
Molecular Formula
C25H28FNO4
Molecular Weight
425.5
API Name
Fluvastatin

Chemical Information

(3S,5R,E)-Methyl 7-(3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl)-3,5-dihydroxyhept-6-enoate
CAS Number786710-21-2
PubChem CID40492830
IUPAC Namemethyl (E,3R,5S)-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-/m1/s1
InChIKey
BOCZYIUKFAQNLG-OKLSWEBGSA-N
Chemical Structure
2D Structure
2D structure of (3S,5R,E)-Methyl 7-(3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl)-3,5-dihydroxyhept-6-enoate
CAS: 786710-21-2
CID: 40492830
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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