7-[(2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid
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![7-[(2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d6f732cff6564ea989d68801432f72de.png "7-[(2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid")
7-[(2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid
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CAS No:
151581-24-7
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Formula:
C38H37F3O8S
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Chemical Name:
7-[(2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid
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Synonyms:
UNII-L1E28E0J8F; Iralukast;
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CAS No:
7-[(2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-[3-(trifluoromethyl)phenyl]deca-3,5-dien-2-yl]sulfanyl-4-oxochromene-2-carboxylic acid Basic Attributes
710.75600
710.21612379
L1E28E0J8F
Drug Information
1-hydroxy-1-(3-trifluoromethylphenyl)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)deca-3(E),5(Z)-diene-2-yl-7-thio-4-oxo-4H-1-benzopyran-2-carboxylic acid
Computed Properties
Molecular Weight:710.8
XLogP3:8.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:16
Exact Mass:710.21612379
Monoisotopic Mass:710.21612379
Topological Polar Surface Area:156
Heavy Atom Count:50
Complexity:1230
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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