AG002BIZ

198470-85-8 | Propanamide, N-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]-, sodium salt (1:1)

AG002BIZ

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CAS Number	198470-85-8
Catalog Number	AG002BIZ(AGN-PC-0QPWEV)
Chemical Name	Propanamide, N-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]-, sodium salt (1:1)
IUPAC Name	sodium;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide
InChI	InChI=1S/C19H18N2O4S.Na/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);/q;+1/p-1
InChI Key	HQPVVKXJNZEAFW-UHFFFAOYSA-M
MDL Number	MFCD04972608
Molecular Formula	C19H17N2NaO4S
Molecular Weight	392.4040
SMILES	CCC([N-]S(=O)(C1=CC=C(C=C1)C2=C(ON=C2C3=CC=CC=C3)C)=O)=O.[Na+]
UNII	EB87433V6F
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 sodium, 198470-85-8, Rayzon, Dynastat, Parecoxib (Sodium), PARECOXIB Na, Parecoxib sodium salt, SC 69124A, Parecoxib sodium [USAN], SC-69124A, UNII-EB87433V6F, EB87433V6F, 197502-82-2, AK326174, Parecoxib sodium (USAN), N-[4-(5-METHYL-3-PHENYLISOXAZOL-4-YL)PHENYLSULFONYL]PROPIONAMIDE, SODIUM SALT, Xapit, sodium ((4-(5-methyl-3-phenylisoxazol-4-yl)phenyl)sulfonyl)(propionyl)amide, N-((4-(5-Methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propanamide, sodium salt, N-((p-(5-Methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propanamide, sodium salt, N-[[4-(5-Methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]propanamide Sodium Salt, sodium;[4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)phenyl]sulfonyl-propanoylazanide, NCGC00181773-01, C19H17N2NaO4S, Dynastat (TN), parecoxib sodium cloth, DSSTox_CID_28596, DSSTox_RID_82867, DSSTox_GSID_48670, MLS001424308, SCHEMBL117192, CHEMBL296913, DTXSID6048670, HQPVVKXJNZEAFW-UHFFFAOYSA-M, HMS2052F09, HMS3394F09, BCP06888, KS-00000I4D, Tox21_113040, HY-17474A, MFCD04972608, YM-978, AKOS015951182, ACN-053783, AM84679, API0016512, CCG-101177, CS-1960, QC-8210, RL02484, AC-25455, AN-30076, CPD000469594, SAM001246773, SMR000469594, AB1008574, LS-184102, CAS-198470-85-8, FT-0673518, V1699, D03717, 470P858, J-523328, sodium (4-(5-methyl-3-phenylisoxazol-4-yl)phenylsulfonyl)(propionyl)amide, N-[4-(5-Methyl-3-phenylisoxazol-4-yl)phenylsulfonyl]propionamide sodium salt, Propanamide, N-((4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)-, sodium salt, Propanamide, N-((4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)-, sodium salt, propanamide,n-[[4-(5-methyl-3-phenyl-4-isoxazolyl)phenyl]sulfonyl]-, sodium salt (1:1), sodium [4-(5-methyl-3-phenyl-isoxazol-4-yl)phenyl]sulfonyl-propanoyl-azanide, Parecoxib, C19H18N2O4S.Na, N-(((Me-P)-P)S)P, 198470-85-8 (sodium), C19-H18-N2-O4-S.Na, ACN-038103, B1239, C409945, N-(((5-methyl-3-phenylisoxazol-4-yl)-phenyl)sulfonyl)propanamide, N-(((5-methyl-3-phenylisoxazol-4-yl)-phenyl)sulfonyl)propanamine, sodium salt, N-((4-(5-Methyl-3-phenyl-4-isoxazolyl)phenyl)sulfonyl)propanamide sodium salt,

Complexity	581
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	392.081g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	392.405g/mol
Monoisotopic Mass	392.081g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	86.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number