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Structure

6-Acetyl-7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid

CAS
96566-25-5
Catalog Number
ACM96566255
Category
Other Products
Molecular Weight
498.565 g/mol
Molecular Formula
C28H34O8

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Specification

Synonyms
rac-6-acetyl-7-<<5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentyl>oxy>-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid; Ablukast; 4-dihydro-2H-1-benzopyran-2-carboxylic acid; Ablukastum; 7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)-pentyloxy]-6-acetyl-
IUPAC Name
6-acetyl-7-[5-(4-acetyl-3-hydroxy-2-propylphenoxy)pentoxy]-3,4-dihydro-2H-chromene-2-carboxylic acid
Canonical SMILES
CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCOC2=CC3=C(CCC(O3)C(=O)O)C=C2C(=O)C
InChI Key
FGGYJWZYDAROFF-UHFFFAOYSA-N
Boiling Point
730.8ºC at 760mmHg
Flash Point
240.9ºC
Density
1.219g/cm³
Exact Mass
498.22500
H-Bond Acceptor
8
H-Bond Donor
2
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