AG002878

202409-33-4 | 2,3'-Bipyridine, 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-

AG002878

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CAS Number	202409-33-4
Catalog Number	AG002878(AGN-PC-00B4VM)
Chemical Name	2,3'-Bipyridine, 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
IUPAC Name	5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine
InChI	InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3
InChI Key	MNJVRJDLRVPLFE-UHFFFAOYSA-N
MDL Number	MFCD06797512
Molecular Formula	C18H15ClN2O2S
Molecular Weight	358.8419
SMILES	Clc1cnc(c(c1)c1ccc(cc1)S(=O)(=O)C)c1ccc(nc1)C
UNII	WRX4NFY03R
Synonyms	Arcoxia, etoricoxib, L 791456, L-791456, L791456, MK 0663, MK-0663, MK0663, Etoricoxib, 202409-33-4, Arcoxia, Algix, Tauxib, Nucoxia, MK-0663, MK-663, 5-Chloro-6'-methyl-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine, MK 0663, Etoricoxib [USAN:INN:BAN], UNII-WRX4NFY03R, L-791456, MK 663, 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2,3'-bipyridine, MK0663, WRX4NFY03R, L791456, 5-chloro-2-(6-methylpyridin-3-yl)-3-(4-methylsulfonylphenyl)pyridine, CHEBI:6339, CHEMBL416146, MNJVRJDLRVPLFE-UHFFFAOYSA-N, 5-Chloro-6'-methyl-3-(p-(methylsulfonyl)phenyl)-2,3'-bipyridine, NCGC00164578-01, Etoricoxibe, AK115816, Etropain, Torcoxia, Etoxib, 2,3'-Bipyridine, 5-chloro-6'-methyl-3-(4-(methylsulfonyl)phenyl)-, 2,3'-Bipyridine, 5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-, DSSTox_CID_26457, DSSTox_RID_81631, DSSTox_GSID_46457, Kingcox, 5-Chloro-3-(4-methanesulfonyl-phenyl)-6'-methyl-[2,3']bipyridinyl, 5-chloro-2-(6-methylpyridin-3-yl)-3-(4-(methylsulfonyl)phenyl)pyridine, CAS-202409-33-4, SR-05000001486, Etoricoxib (USAN/INN), etoricoxibum, AC1L3WZM, SCHEMBL4680, GTPL2896, DTXSID3046457, CTK8E8328, HMS2090A05, HMS3713P20, ZINC579472, BCP06428, EX-A2642, KS-00000G8U, Tox21 112206, Tox21_112206, BDBM50072064, Etoricoxib; MK-663; MK-0663, MFCD06797512, s4651, AKOS016010125, Tox21_112206_1, API0002661, CCG-220639, CS-1047, DB01628, RTC-030142, SB18988, NCGC00164578-02, 5CH, AC-29052, AJ-23602, AN-16569, AS-17761, CC-28334, HY-15321, ZB014476, AB0020709, AX8129880, LS-181802, TC-030142, FT-0082494, FT-0602793, ST24044654, V1697, C11718, D03710, Etoricoxib, VETRANAL(TM), analytical standard, W-5339, AB01275483-01, 409E334, C-20862, L001141, J-013140, SR-05000001486-1, SR-05000001486-2, BRD-K54770957-001-01-9, BRD-K54770957-001-02-7, F2173-0490, Etoricoxib, United States Pharmacopeia (USP) Reference Standard, 5-chloro-2-(6-methyl-3-pyridyl)-3-(4-methylsulfonylphenyl)pyridine, 5-Chloro-6'-methyl-3-(4-(methylsulfonyl)-phenyl)-2,3'-bipyridine, 5-Chloro-3-(4-methanesulfonyl-phenyl)-6''''-methyl-[2,3'''']bipyridinyl, 5-Chloro-3-(4-methanesulfonyl-phenyl)-6''-methyl-[2,3'']bipyridinyl, 5-chloro-3-(4-methanesulfonylphenyl)-2-(6-methylpyridin-3-yl)pyridine, 5-Chloro-3-[4-(methylsulfonyl)phenyl]-2-(2-methyl-5-pyridinyl)pyridine, 5-chloro-6''-methyl-3-[4-(methylsulfonyl)phenyl]-2,3''-bipyridine, etobrix, etocox, Etoricoxib-d3, Arcoxia (TN), Etoricoxib [USAN], Tauxib (TN), Algix (TN), D09MGR, C18H15ClN2O2S, Etoricoxib, 98% - 1G 1g, C18-H15-Cl-N2-O2-S, CID123619, ACN-037621, CS-O-10073, Merck Sharp & Dohme brand of etoricoxib, A3405, A13770, C422649, L 791456, D000077613, 2,3'-bipiridina, 5-cloro-6'-metil-3-[4-(metilsulfonil)fenil]-, 5-Chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-2 3'-bipyridine, 5-chloro-3-(4-methylsulfonyl)phenyl-2-(2-methyl-5-pyridinyl)pyridine, 2,?3'-?Bipyridine, 5-?chloro-?6'-?methyl-?3-?[4-?(methylsulfonyl)?phenyl]?-, 850896-71-8,

Complexity	514
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	358.054g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	358.84g/mol
Monoisotopic Mass	358.054g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	68.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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