AG002BJ0

198470-84-7 | N-((4-(5-Methyl-3-phenyl-2,3-dihydrooxazol-4-yl)phenyl)sulfonyl)propionamide

AG002BJ0

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CAS Number	198470-84-7
Catalog Number	AG002BJ0(AGN-PC-0BT60G)
Chemical Name	N-((4-(5-Methyl-3-phenyl-2,3-dihydrooxazol-4-yl)phenyl)sulfonyl)propionamide
IUPAC Name	N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide
InChI	InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)
InChI Key	TZRHLKRLEZJVIJ-UHFFFAOYSA-N
MDL Number	MFCD08141856
Molecular Formula	C19H18N2O4S
Molecular Weight	370.4222
SMILES	Cc1c(c(no1)c1ccccc1)c1ccc(cc1)S(=O)(=O)NC(=O)CC
UNII	9TUW81Y3CE
Synonyms	Dynastat, N-(((5-methyl-3-phenylisoxazol-4-yl)-phenyl)sulfonyl)propanamide, N-(((5-methyl-3-phenylisoxazol-4-yl)-phenyl)sulfonyl)propanamine, sodium salt, N-(((Me-P)-P)S)P, parecoxib, parecoxib sodium, Parecoxib, 198470-84-7, Dynastat, SC-69124, Valus-P, Vorth-P, SC 69124, UNII-9TUW81Y3CE, 9TUW81Y3CE, Parecoxib [USAN:INN:BAN], CHEBI:73038, N-((p-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propionamide, N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonyl]propanamide, Parocoxib, Propanamide, N-((4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)-, N-{[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl}propanamide, parecoxibum, Propanamide, N-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]-, Parecoxib (USAN/INN), SCHEMBL9529, GTPL2895, CHEMBL1206690, DTXSID1044229, TZRHLKRLEZJVIJ-UHFFFAOYSA-N, HMS3741C09, LQT-A00050, BCP07254, EX-A1993, ZINC5761797, CP0130, N-[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonylpropanamide, s4656, AKOS025401810, API0015445, CS-1959, DB08439, SC69124, NCGC00378576-02, AC-25842, AS-72353, HY-17474, LS-184101, FT-0697932, ST24048236, Y1120, Parecoxib, VETRANAL(TM), analytical standard, D03716, Q347941, J-523329, BRD-K13800121-236-01-7, N-[4-(5-Methyl-3-phenyl-oxazol-4-yl)phenyl]sulfonylpropanamde, N-((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)propionamide, n-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]-propanamide, n-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]propanamide, N-{[4-(5-methyl-3-phenylisoxazol-4-yl)phenyl]sulfonyl}propanamide, N-[[4-(5-methyl-3-phenyl-4-isoxazolyl) phenyl] sulfonyl] propanamide, N-?[[4-?(5-?Methyl-?3-?phenyl-?4-?isoxazolyl)?phenyl]?sulfonyl]?propanamide, PXB, Parecoxib sodium, Xapit, D05UWI, AC1L3PK8, C19H18N2O4S, N-(((Me-P)-P)S)P, CID119828, ACN-037620, RL02483, B1017, A13572, C409945, N-((4-(5-Methyl-3-phenyl-2,3-dihydrooxazol-4-yl)phenyl)sulfonyl)propionamide, N-(((5-methyl-3-phenylisoxazol-4-yl)-phenyl)sulfonyl)propanamide, N-[4-(5-METHYL-3-PHENYL-OXAZOL-4-YL)PHENYL]SULFONYLPROPANAMIDE, N-(((5-methyl-3-phenylisoxazol-4-yl)-phenyl)sulfonyl)propanamine, sodium salt, 198470-85-8,

Complexity	575
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	370.098728g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	370.4g/mol
Monoisotopic Mass	370.098728g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	97.6Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number