Carboxyibuprofen
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Carboxyibuprofen
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CAS No:
15935-54-3
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Formula:
C13H16O4
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Chemical Name:
Carboxyibuprofen
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Synonyms:
Benzeneacetic acid,4-(2-carboxypropyl)-α-methyl-;Benzenepropanoic acid,4-(1-carboxyethyl)-α-methyl-;4-(2-Carboxypropyl)-α-methylbenzeneacetic acid;2-[4-(2-Carboxypropyl)phenyl]propionic acid;2,4′-(2-Carboxypropyl)phenylpropionic acid;Carboxyibuprofen;Ibuprofen COOH;15935-73-6
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CAS No:
Description
White SolidChEBI: A dicarboxylic acid that is ibuprofen in which one of the methyl groups in the isobutyl portion has been converted to the corresponding carboxylic acid.
Carboxyibuprofen is a dicarboxylic acid that is ibuprofen in which one of the methyl groups in the isobutyl portion has been converted to the corresponding carboxylic acid. It has a role as a drug metabolite. It derives from an ibuprofen. It is a conjugate acid of a carboxyibuprofen anion and a carboxyibuprofen(2-).
Characteristics
74.6
2.2
1.211±0.06 g/cm3(Predicted)
114-116°C
416.2±25.0 °C(Predicted)
-20°C Freezer
Carboxyibuprofen Use and Manufacturing
The major metabolite of Ibuprofen; may reduce the risk of cataract by protecting lenticular enzymes.
Computed Properties
Molecular Weight:236.26
XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:236.10485899
Monoisotopic Mass:236.10485899
Topological Polar Surface Area:74.6
Heavy Atom Count:17
Complexity:279
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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