Molecules/4-(6-Acetyl-3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-2-propylphenoxy)butyric acid
4-(6-Acetyl-3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-2-propylphenoxy)butyric acid
4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylpropoxy]-2-propylphenoxy]butanoic acid
Molecular Identity
4-(6-Acetyl-3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-2-propylphenoxy)butyric acid
4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylpropoxy]-2-propylphenoxy]butanoic acid
PubChem CID: 9893228
Tipelukast is an aromatic ketone.
2D Structure
Properties
C29H38O7S
Molecular Formula
530.70
Molecular Weight
g/mol
530.2338
Exact Mass
Da
6.5
XLogP
Above Lipinski threshold
135
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
8
H-Bond Acceptors
714
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
4-(6-Acetyl-3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-2-propylphenoxy)butyric acid4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy]-2-propylphenoxy]butyric acidMN001 cpdRefChem:190100Tipelukast125961-82-2MN-001KCA-757KCA 757MN-001 (Tipelukast)Butanoic acid, 4-[6-acetyl-3-[3-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]propoxy]-2-propylphenoxy]-KCA 757;MN 001Tipelukast (USAN)TIPELUKAST [USAN]08379P260O
Data from PubChem (NCBI)
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Molecular Structure
4-(6-Acetyl-3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-2-propylphenoxy)butyric acid
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Drug Network
Trials and conditions connected to 4-(6-Acetyl-3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-2-propylphenoxy)butyric acid
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