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Gemfibrozil

CAT: 1596-AR-G01743-04Size: 150Dry Ice: NoHazardous: No
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CAT#:1596-AR-G01743-04Size:150
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CAS Number
25812-30-0

Chemical Information

Gemfibrozil

Gemfibrozil can cause cancer, female reproductive toxicity and male reproductive toxicity according to state or federal government labeling requirements.

CAS Number25812-30-0
PubChem CID3463
IUPAC Name5-(2,5-dimethylphenoxy)-2,2-dimethylpentanoic acid
Molecular FormulaC15H22O3
Molecular Weight250.33
XLogP3.8
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count18
Formal Charge0
Complexity273
SMILES
CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O
InChI
InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
InChIKey
HEMJJKBWTPKOJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gemfibrozil
CAS: 25812-30-0
CID: 3463
Formula: C15H22O3
MW: 250.33
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.33
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass250.15689456
Monoisotopic Mass250.15689456
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity273
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FD23652-01Gemfibrozil
278313-01Iso-Gemfibrozil (gemfibrozil impurity)

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