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GR-92549

CAT: 0931-T70633-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70633-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144501-27-9
Target
Others
Related Pathways
Others
Bioactivity
GR-92549 is an HMG-CoA reductase inhibitor.
Smiles
C(=C/[C@@H](C[C@@H](CC(O)=O)O)O)\N1C(=C(N=C1C(C)C)C2=CC=C(F)C=C2)C3=CC=C(F)C=C3
Molecular Formula
C25H26F2N2O4
Molecular Weight
456.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3,5-Dihydroxy-7-(4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-imidazol-1-yl)-6-heptenoic acid
CAS Number144501-27-9
PubChem CID6439471
IUPAC Name(E,3S,5R)-7-[4,5-bis(4-fluorophenyl)-2-propan-2-ylimidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid
Molecular FormulaC25H26F2N2O4
Molecular Weight456.5
XLogP3.5
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count33
Formal Charge0
Complexity648
SMILES
CC(C)C1=NC(=C(N1/C=C/[C@@H](C[C@@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
InChI
InChI=1S/C25H26F2N2O4/c1-15(2)25-28-23(16-3-7-18(26)8-4-16)24(17-5-9-19(27)10-6-17)29(25)12-11-20(30)13-21(31)14-22(32)33/h3-12,15,20-21,30-31H,13-14H2,1-2H3,(H,32,33)/b12-11+/t20-,21-/m0/s1
InChIKey
GQOQQDINYJTQDY-GOHIESPPSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dihydroxy-7-(4,5-bis(4-fluorophenyl)-2-(1-methylethyl)-1H-imidazol-1-yl)-6-heptenoic acid
CAS: 144501-27-9
CID: 6439471
Formula: C25H26F2N2O4
MW: 456.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.5
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass456.18606364
Monoisotopic Mass456.18606364
Topological Polar Surface Area95.6 Ų
Heavy Atom Count33
Formal Charge0
Complexity648
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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