Valdecoxib
CAS Registry Number®
181695-72-7
No image available.
CAS Name
ValdecoxibMolecular Formula
C16H14N2O3SMolecular Mass
314.36Cite this Page
Valdecoxib. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=181695-72-7 (retrieved ) (CAS RN: 181695-72-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
172-173 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)
InChIKey
InChIKey=LNPDTQAFDNKSHK-UHFFFAOYSA-N
SMILES
CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(S(N)(=O)=O)C=C3
Canonical SMILES
O=S(=O)(N)C1=CC=C(C=C1)C=2C(=NOC2C)C=3C=CC=CC3
Other Names for this Substance
- Benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)-
- 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
- SC 65872
- Valdecoxib
- 4-(5-Methyl-3-phenylisoxazol-4-yl)benzenesulfonamide
