AG00231D

181695-72-7 | Benzenesulfonamide, 4-​(5-​methyl-​3-​phenyl-​4-​isoxazolyl)​-

AG00231D

SDS

COA

Price

$0.00

WARNING This product is not for human or veterinary use.

CAS Number	181695-72-7
Catalog Number	AG00231D(AGN-PC-07Y4YF)
Chemical Name	Benzenesulfonamide, 4-​(5-​methyl-​3-​phenyl-​4-​isoxazolyl)​-
EC Number	448-010-8
IUPAC Name	4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
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)
InChI Key	LNPDTQAFDNKSHK-UHFFFAOYSA-N
MDL Number	MFCD00950568
Molecular Formula	C16H14N2O3S
Molecular Weight	314.3590
NSC Number	759846
SMILES	Cc1c(c(no1)c1ccccc1)c1ccc(cc1)S(=O)(=O)N
UNII	2919279Q3W
Synonyms	Bextra, SC 65872, SC-65872, valdecoxib, Valdecoxib, 181695-72-7, Bextra, 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide, SC-65872, Valdyn, 4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide, SC 65872, Kudeq, 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide, Benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)-, YM-974, HSDB 7302, UNII-2919279Q3W, CHEMBL865, p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide, CHEBI:63634, LNPDTQAFDNKSHK-UHFFFAOYSA-N, MFCD00950568, 4-(5-methyl-3-phenyl-4-isoxazolyl) benzenesulfonamide, COX, NCGC00095129-01, 2919279Q3W, DSSTox_CID_24226, DSSTox_RID_80128, DSSTox_GSID_44226, Valdecoxib [USAN], C16H14N2O3S, 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sulfonamide, Valecoxib, Bextra(Valdecoxib), SMR000466327, CAS-181695-72-7, Valdecoxib (USAN/INN), 4-[5-methyl-3-phenylisoxazol-4-yl]benzenesulfonamide, valdecoxibum, Vatdecoxib, Valdecoxib [USAN:INN:BAN], Valdecoxib/, 4-(5-methyl-3-phenyl-isoxazol-4-yl)benzenesulfonamide, ND-0214, Spectrum_001747, 2aw1, Spectrum2_000508, Spectrum3_001001, Spectrum4_001129, Spectrum5_001476, SCHEMBL3356, BSPBio_002721, KBioGR_001617, KBioSS_002227, MLS000759433, MLS001165699, MLS001195631, MLS001424105, SPECTRUM1504302, SPBio_000435, 4-(Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide, AC1L3P42, cid_119607, GTPL2894, ZINC6694, DTXSID6044226, Valdecoxib, >=98% (HPLC), BDBM13063, CTK8E7482, KBio2_002227, KBio2_004795, KBio2_007363, KBio3_001941, KS-00000XKX, EX-A241, HMS1922J21, HMS2051P07, HMS2232P23, HMS3372D12, HMS3393P07, HMS3652I04, HMS3715L18, Pharmakon1600-01504302, BCP02419, Tox21_111438, ABP000351, AC-120, CCG-39589, NSC759846, s4049, AKOS000280920, Tox21_111438_1, ACN-053782, API0004561, CS-1674, DB00580, NC00184, NSC-759846, RL02316, SB19519, MRF-0000216, NCGC00095129-02, NCGC00095129-03, NCGC00095129-06, Valdecoxib, analytical reference material, AJ-08285, AK122221, AN-16123, BC209355, CC-35561, CPD000466327, HY-15762, SAM001246603, SC-19235, ZB000648, ACM1189428236, AB0125618, AX8016203, LS-173713, RT-016210, UNM-0000305814, 4CH-003246, FT-0631199, ST24042991, SW197564-2, A13342, C21552, D02709, AB00639996-08, AB00639996_10, 695V727, A812629, C-19398, SR-01000759421, J-011613, J-513600, SR-01000759421-4, 4-[5-methyl-3-phenylisoxazol-4-yl]benzensulfonamide, BRD-K12994359-001-02-8, BRD-K12994359-001-14-3, I14-44902, 4-(5-Methyl-3-phenyl-isoxazol-4-yl)-benzenesulfonamide, Benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)- (9CI), InChI=1/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, VLX, Bextra (TN), Valdecoxib-13C2,15N, Pfizer brand of valdecoxib, D0L6DA, cc-671, C16-H14-N2-O3-S, CID119607, CS-W-00221, B1459, C406224, 4-(5-methyl-3-phenyl-oxazol-4-yl)benzenesulfonamide, Valdecoxib, 98%, a COX-2 selective inhibitor - 1G 1g, Benzenesulfonamide, 4-(5-methyl-3-phenyl-4-isoxazolyl)-(9CI), 1189428-23-6,

Complexity	462
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	314.073g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	314.359g/mol
Monoisotopic Mass	314.073g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	94.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H332-H335
Precuationary statements	P280-P305+P351+P338-P310
Siginal words

Certificate of Analysis

Lot Number