Ablukast

CAS Registry Number®

96566-25-5
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CAS Name

Ablukast

Molecular Formula

C28H34O8

Molecular Mass

498.56

Cite this Page

Ablukast.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=96566-25-5 (retrieved 2024-04-19) (CAS RN: 96566-25-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    113-115 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

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)

InChIKey

InChIKey=FGGYJWZYDAROFF-UHFFFAOYSA-N

SMILES

C(C)(=O)C=1C=C2C(=CC1OCCCCCOC3=C(CCC)C(O)=C(C(C)=O)C=C3)OC(C(O)=O)CC2

Canonical SMILES

O=C(O)C1OC2=CC(OCCCCCOC3=CC=C(C(=O)C)C(O)=C3CCC)=C(C=C2CC1)C(=O)C

Other Names for this Substance

  • 2H-1-Benzopyran-2-carboxylic acid, 6-acetyl-7-[[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy]-3,4-dihydro-
  • 2H-1-Benzopyran-2-carboxylic acid, 6-acetyl-7-[[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy]-3,4-dihydro-, (±)-
  • 6-Acetyl-7-[[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl]oxy]-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
  • Ablukast
  • Ro 23-3544/000

View All

Deleted or Replaced CAS Registry Numbers

131147-29-0

CAS INSIGHTSTM
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