Molecular Identity
Butylphthalide
3-butyl-3H-2-benzofuran-1-one
PubChem CID: 61361
Butylphthalide is a member of benzofurans.
2D Structure
Properties
C12H14O2
Molecular Formula
190.24
Molecular Weight
g/mol
190.0994
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
26.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
2
H-Bond Acceptors
212
Complexity
SMILES
Canonical SMILES
SMILES: CCCCC1C2=CC=CC=C2C(=O)O1Isomeric SMILES
SMILES: CCCCC1C2=CC=CC=C2C(=O)O1Synonyms(20)
Butylphthalide6066-49-53-n-Butylphthalide3-BUTYLPHTHALIDEN-butylphthalide3-Butyl-1(3H)-isobenzofuranonePhthalide, 3-butyl-1(3H)-Isobenzofuranone, 3-butyl-3-butyl-3H-2-benzofuran-1-onedl-3-n-butylphthalideFEMA No. 3334DTXSID50863687822Q956KGMbutilftalidabutylphthalidum
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Butylphthalide
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