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Home > Encyclopedia > 1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid

1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid

1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid structure

1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid 

structure
  • CAS No:

    264236-79-5

  • Formula:

    C23H20F3N3O10S

  • Chemical Name:

    1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid

  • Synonyms:

    1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid;Celecoxib Carboxylic Acid Acyl-β-D-glucuronide;Celecoxib carboxylic acid-acyl-beta-D-glucuronide min. 95%;Celecoxib Carboxylic Acid-Acyl-beta-D-Glucuronide

1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid Basic Attributes

587.4792096

587.082

U914CMX58G

DTXSID10439488

Characteristics

220

1

1.77±0.1 g/cm3(Predicted)

1-[4-[1-[4-(AMinosulfonyl)phenyl]-3-(trifluoroMethyl)-1H-pyrazol-5-yl]benzoate] β-D-Glucopyranuronic Αcid Use and Manufacturing

Celecoxib Carboxylic Acid Acyl-β-D-glucuronide is a glucuronide metabolite of Celecoxib (C251000), a Cox-2 inhibitor.

Computed Properties

Molecular Weight:587.5
XLogP3:1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:7
Exact Mass:587.08214950
Monoisotopic Mass:587.08214950
Topological Polar Surface Area:220
Heavy Atom Count:40
Complexity:1030
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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