AG00EC0N

59973-80-7 | 1H-Indene-3-acetic acid,5-fluoro-2-methyl-1-[[4-(methylsulfonyl)phenyl]methylene]-, (1Z)-

AG00EC0N

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CAS Number	59973-80-7
Catalog Number	AG00EC0N(AGN-PC-0SU6WN)
Chemical Name	1H-Indene-3-acetic acid,5-fluoro-2-methyl-1-[[4-(methylsulfonyl)phenyl]methylene]-, (1Z)-
IUPAC Name	2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid
InChI	InChI=1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-
InChI Key	MVGSNCBCUWPVDA-MFOYZWKCSA-N
MDL Number	MFCD00871143
Molecular Formula	C20H17FO4S
Molecular Weight	372.4100
NSC Number	719619
SMILES	CC1=C(C2=C(/C1=CC3=CC=C(S(C)(=O)=O)C=C3)C=CC(F)=C2)CC(O)=O
UNII	K619IIG2R9
Synonyms	(5-fluoro-2-methyl-1-(3,4,5-trimethoxybenzylidene)-3-(N-benzyl)-indene)-acetamide, 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylsulfonyl)phenyl)methylene)-, (Z)-, Aptosyn, CP 248, CP248, exisulind, FGN-1, OSIP 486823, OSIP-486823, OSIP486823, sulindac sulfone, sulindac sulfone, (Z)-isomer, Sulindac sulfone, Exisulind, Aptosyn, 59973-80-7, Prevatec, FGN-1, FGN 1, UNII-K619IIG2R9, CCRIS 7242, cis-5-Fluoro-2-methyl-1-(p-methylsulfonylbenzylidenyl)indene-3-acetic acid, C20H17FO4S, K619IIG2R9, CHEBI:64212, MVGSNCBCUWPVDA-MFOYZWKCSA-N, 5-Fluoro-2-methyl-1-((Z)-p-(methylsulfonyl)benzylidene)indene-3-acetic acid, NCGC00015928-04, {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfonyl)benzylidene]-1H-inden-3-yl}acetic acid, 5-Fluoro-2-methy l-1-((4-(methylsulfonyl)phenyl)methylene)-1H-indene-3-acetic acid, DSSTox_CID_20246, DSSTox_RID_79458, DSSTox_GSID_40246, 59864-04-9, (Z)-5-Fluoro-2-methyl-1[p-(methylsulfonyl)benzylidene]indene-3-acetic Acid, 1H-Indene-3-acetic acid, 5-fluoro-2-methy l-1-((4-(methylsulfonyl)phenyl)methylene)-, 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylsulfonyl)phenyl)methylene)-, (1Z)-, 2-[(3z)-6-Fluoranyl-2-Methyl-3-[(4-Methylsulfonylphenyl)methylidene]inden-1-Yl]ethanoic Acid, 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfonylphenyl)methylidene]inden-1-yl]acetic acid, Exisulind [INN], CAS-59973-80-7, sulindac sulfone, (Z)-isomer, CP248, CP 248, Curator_000028, Lopac-S-1438, AC1NV87R, Lopac0_001115, CHEMBL488025, SCHEMBL1651133, SCHEMBL4776597, DTXSID6040246, HMS3263O12, Tox21_113524, Tox21_501115, NSC719619, ZINC12341529, Tox21_113524_1, CCG-205191, LP01115, NSC-719619, SB17347, NCGC00015928-01, NCGC00015928-02, NCGC00015928-03, NCGC00015928-05, NCGC00094385-01, NCGC00162346-01, NCGC00261800-01, SLO, LS-176044, LS-176053, EU-0101115, S 1438, SR-01000076119, A1-00155, SR-01000076119-2, (Z)-5-Fluoro-2-methyl-1-(p-methylsulfonylbenzylidene)-3-indenylacetic acid, {6-fluoro-3-[(4-methanesulfonylphenyl)methylidene]-2-methylinden-1-yl}acetic acid, 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-[[4-(methylsulfonyl)phenyl]methylene]-, (Z)-[5-Fluoro-2-methyl-1-[4-(methylsulfonyl)benzylidene]-1H-inden-3-yl]acetic Acid (Sulindac Sulfone), [(1Z)-5-fluoro-2-methyl-1-{[4-(methylsulfonyl)phenyl]methylidene}-1H-inden-3-yl]acetic acid, 1H-Indene-3-acetic acid, 5-fluoro-2-methy l-1-((4-(methylsulfonyl)phenyl)methylene)-, (Z)-, Aposulind, D0M9VE, Exisulind < Prop INN >, Prevatac (former Brand Name), OSIP486823, OSIP 486823, OSIP-486823, C20-H17-F-O4-S, ACN-053159, CID5472495, C025463, cis-5-fluoro-2-methyl-1-(p-methylsulfonylbenzylidene)-3-acetic acid, (1Z)-5-Fluoro-2-methyl-1-[[4-(methylsulfonyl)phenyl]methylene]-1H-indene-3-acetic acid, (5-fluoro-2-methyl-1-(3,4,5-trimethoxybenzylidene)-3-(N-benzyl)-indene)-acetamide, (Z)-5-Fluoro-2-methyl-1-[4-(methylsulfonyl)benzylidene]-1H-indene-3-acetic acid, (Z)-5-Fluoro-2-methyl-1-[p-(methylsulfonyl)benzylidene]indene-3-acetic acid, 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylsulfonyl)phenyl)methylene)-, (Z)-,

Complexity	723
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	372.083g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	372.41g/mol
Monoisotopic Mass	372.083g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number