Ablukast

Ablukast
Clinical data
ATC code	none;
Legal status
Legal status	Investigational;
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 ;
UNII	000TKM5BBQ;
KEGG	D02739 ;
ChEMBL	ChEMBL22016 ;
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) ; Key:FGGYJWZYDAROFF-UHFFFAOYSA-N ;
	(verify)

Ablukast (INN) is an experimental drug that is a leukotriene antagonist. It was investigated for potential applications in the treatment of inflammatory conditions, including asthma, skin disorders, and inflammatory bowel disease. It reached Phase III clinical trials, but development was discontinued in 1996.

Clinical data

ATC code	none
Legal status
Legal status	Investigational
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
(verify)