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Butylphthalide

CAT: 0013-GTR19158410-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158410-02Size:500 mg
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Description
Butylphthalide is an anti-cerebral-ischemia drug; first isolated from the seeds of Apium graveolens Linn.
CAS Number
6066-49-5
Product Name Alternative
3-Butylphthalide | 3-n-Butylphthalide | 3-n-Butylphathlide
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO: 55 mg/mL
Smiles
CCCCC1OC (=O) c2ccccc12
Molecular Formula
C12H14O2
Molecular Weight
190.24
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
3-Butyl-2-benzofuran-1 (3H) -one

Chemical Information

Butylphthalide

Butylphthalide is a member of benzofurans.

CAS Number6066-49-5
PubChem CID61361
IUPAC Name3-butyl-3H-2-benzofuran-1-one
Molecular FormulaC12H14O2
Molecular Weight190.24
XLogP2.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity212
SMILES
CCCCC1C2=CC=CC=C2C(=O)O1
InChI
InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3
InChIKey
HJXMNVQARNZTEE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Butylphthalide
CAS: 6066-49-5
CID: 61361
Formula: C12H14O2
MW: 190.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight190.24
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass190.099379685
Monoisotopic Mass190.099379685
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity212
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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