Ablukast

Ablukast (INN) is a leukotriene antagonist which has applications in the treatment of inflammatory skin conditions.[1]

Ablukast

Clinical data
ATC code	none
Identifiers
IUPAC name 6-acetyl-7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]chroman-2-carboxylic acid
CAS Number	96566-25-5
PubChem CID	57109
ChemSpider	51496^Y
UNII	000TKM5BBQ
KEGG	D02739^Y
ChEMBL	ChEMBL22016^Y
CompTox Dashboard (EPA)	DTXSID20869277
Chemical and physical data
Formula	C28H34O8
Molar mass	498.572 g·mol^−1
3D model (JSmol)	Interactive image
SMILES CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=CC3=C(CCC(O3)C(=O)O)C=C2C(=O)C
InChI InChI=1S/C28H34O8/c1-4-8-21-23(12-10-20(17(2)29)27(21)31)34-13-6-5-7-14-35-26-16-25-19(15-22(26)18(3)30)9-11-24(36-25)28(32)33/h10,12,15-16,24,31H,4-9,11,13-14H2,1-3H3,(H,32,33)^Y Key:FGGYJWZYDAROFF-UHFFFAOYSA-N^Y
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References

1. Rosenbach T, Csatò M, Czarnetzki BM (January 1988). "Studies on the role of leukotrienes in murine allergic and irritant contact dermatitis". The British Journal of Dermatology. 118 (1): 1–6. doi:10.1111/j.1365-2133.1988.tb01743.x. PMID 2829957.