Products 2987295-53-2

CAS 2987295-53-2 is the registry number for 4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonic Acid Dihydrate (Valdecoxib Sulfonic Acid Dihydrate). Offered by: Mikromol. Available pack sizes: 25mg, 100mg.

4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonic Acid Dihydrate (Valdecoxib Sulfonic Acid Dihydrate)
Mikromol
  • size: 25mg, 100mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonic acid;dihydrate (CAS 2987295-53-2) is a chemical compound with the molecular formula C16H17NO6S and a molecular weight of 351.4 g/mol. IUPAC name: 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonic acid;dihydrate. InChIKey: KTJCETUUOSMEAE-UHFFFAOYSA-N.

Identity
Molecular formulaC16H17NO6S
Molecular weight351.4 g/mol
IUPAC name4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonic acid;dihydrate
InChIKeyKTJCETUUOSMEAE-UHFFFAOYSA-N
SMILESCC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O.O.O

Computed by PubChem (NCBI)

Isomers (same molecular formula)
2-[N-(benzenesulfonyl)-3,4-dimethoxyanilino]acetic acid C16H17NO6S
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]acetic acid C16H17NO6S
2-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoic acid C16H17NO6S
3-[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]propanoic acid C16H17NO6S
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetic acid C16H17NO6S