AG007B4T

38194-50-2 | 2-[(1Z)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetic acid

AG007B4T

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CAS Number	38194-50-2
Catalog Number	AG007B4T(AGN-PC-0RFVMN)
Chemical Name	2-[(1Z)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetic acid
IUPAC Name	2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid
InChI	InChI=1S/C20H17FO3S/c1-12-17(9-13-3-6-15(7-4-13)25(2)24)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	MLKXDPUZXIRXEP-MFOYZWKCSA-N
MDL Number	MFCD00599589
Molecular Formula	C20H17FO3S
Molecular Weight	356.4106
NSC Number	757344
SMILES	FC=1C=C2C(=C(/C(/C2=CC1)=C/C1=CC=C(C=C1)S(=O)C)C)CC(=O)O
Synonyms	Aclin, Apo Sulin, Apo-Sulin, Arthrobid, Arthrocine, Chibret, Clinoril, Copal, Kenalin, Klinoril, MK 231, MK-231, MK231, Novo Sundac, Novo-Sundac, Nu Sulindac, Nu-Sulindac, Sulindac, Sulindal, sulindac, Clinoril, Arthrocine, 38194-50-2, Sulindac sulfoxide, Sulindaco, Sulindacum, Mobilin, MK 231, Sulindacum [INN-Latin], Sulindaco [INN-Spanish], Aflodac, Sulreuma, C20H17FO3S, CCRIS 3305, CHEBI:9352, (Z)-2-(5-Fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetic acid, cis-5-Fluoro-2-methyl-1-((p-methylsulfinyl)benzylidene)indene-3-acetic acid, (Z)-5-Fluoro-2-methyl-1-((p-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid, cis-5-Fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-1H-indene-3-acetic acid, EINECS 253-819-2, BRN 2951842, Algocetil, Artribid, Citireuma, Clisundac, Imbaral, Reumofil, Sulinol, CHEMBL15770, Sudac, 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-, (Z)-, NCGC00015970-02, Arthrobid, Klinoril, CAS-38194-50-2, DSSTox_CID_3624, 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid, DSSTox_RID_77117, DSSTox_GSID_23624, (S)-Sulindac, cis-Sulindac, Sulindac (Clinoril), 2-[(1Z)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetic acid, Clinoril (TN), Sulindac [USAN:BAN:INN:JAN], {(1Z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid, SR-01000075237, Moblilin, (Z)-2-[5-Fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl]acetic Acid, 2-(5-fluoro-2-methyl-1-{[4-(methylsulfinyl)phenyl]methylene}inden-3-yl)acetic acid, 32004-68-5, EINECS 250-893-8, EINECS 256-402-3, Sulindac [USAN:USP:INN:BAN:JAN], Tocris-1707, AC1LU7GY, Clinoril;Aflodac;Sulreuma, Prestwick3_000073, Spectrum5_001024, Lopac-S-8139, S 8139, Sulindac, >=98.0%, SCHEMBL4202, SCHEMBL4203, 5-Fluoro-2-methyl-1-((4-(methylsulphinyl)phenyl)methylene)-1H-indene-3-acetic acid, Lopac0_001070, BSPBio_000285, BSPBio_002890, MLS001056554, SPECTRUM1500556, Sulindac (JP17/USP/INN), BPBio1_000315, GTPL5425, DTXSID4023624, CHEBI:93811, HMS501O03, cMAP_000021, MLKXDPUZXIRXEP-MFOYZWKCSA-N, HMS1921C11, HMS2092K15, HMS2095O07, HMS2231N24, HMS3259K06, HMS3263E22, HMS3649P19, HMS3678N09, HMS3712O07, Pharmakon1600-01500556, HY-B0008, Tox21_110270, Tox21_301418, Tox21_501070, BDBM50012899, BDBM50103504, CCG-39264, NSC757344, s2007, SBB058181, AKOS015895412, cis-5-Fluoro-2-methyl-1-((p-methylsulfinyl)benzylidenyl)indene-3-acetic acid, Tox21_110270_1, CS-0569, DB00605, KS-5153, LP01070, NC00540, NSC-757344, (Z)-(1)-5-Fluoro-2-methyl-1-((4-(methylsulphinyl)phenyl)methylene)-1H-indene-3-acetic acid, (Z)-5-Fluoro-2-methyl-1-[[4-(methyl-sulfinyl)phenyl]methylene]-1H-indene-3-acetic acid, 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-, (1Z)-, IDI1_000601, NCGC00015970-01, NCGC00015970-03, NCGC00015970-04, NCGC00015970-05, NCGC00015970-06, NCGC00015970-07, NCGC00015970-08, NCGC00015970-11, NCGC00025268-01, NCGC00025268-02, NCGC00025268-03, NCGC00094349-01, NCGC00094349-02, NCGC00255143-01, NCGC00261755-01, BP-30208, CPD000326718, LS-81610, SAM002554933, SMR000326718, SBI-0051040.P004, Sulindac, meets USP testing specifications, AB2000418, RT-000169, AB00513800, EU-0101070, ST24026687, ST51015123, SW219748-1, U0099, 9222-EP2275420A1, 9222-EP2277565A2, 9222-EP2277566A2, 9222-EP2277567A1, 9222-EP2277568A2, 9222-EP2277569A2, 9222-EP2277570A2, 9222-EP2280008A2, 9222-EP2281815A1, 9222-EP2284166A1, 9222-EP2292280A1, 9222-EP2295055A2, 9222-EP2295409A1, 9222-EP2298764A1, 9222-EP2298765A1, 9222-EP2301933A1, 9222-EP2305640A2, 9222-EP2305652A2, 9222-EP2308872A1, 9222-EP2311453A1, 9222-EP2311827A1, 9222-EP2314585A1, 9222-EP2314590A1, 9222-EP2316829A1, C01531, D00120, W-5115, AB00052105-07, AB00052105_08, AB00052105_09, J-008554, J-012337, SR-01000075237-2, SR-01000075237-3, SR-01000075237-5, SR-01000075237-7, BRD-A13946108-001-04-9, BRD-A13946108-001-08-0, SR-01000075237-13, Sulindac, European Pharmacopoeia (EP) Reference Standard, Sulindac, United States Pharmacopeia (USP) Reference Standard, (Z)-2-(5-Fluoro-2-methyl-1-(4-(methylsulfinyl)-benzylidene)-1H-inden-3-yl)acetic acid, (Z)-5-Fluoro-2-methyl-1-[(p-methylsulfinyl)benzylidene]-1H-indene-3-acetic Acid, (Z)-5-fluoro-2-methyl-1-[[4-(methylsulfinyl)-phenyl]methylene]-1H-indene-3-acetic acid, {(1z)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1h-indene-3-yl}acetic acid, 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylene]inden-1-yl]acetic acid, Sulindac|(1Z)-5-Fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-1H-indene-3-acetic acid, Copals, Copal, Sulindal, Chibret, Kenalin, Aclin, Copal resin, Resin copal, cowrie, Gum copal, Novo Sundac, Novo-Sundac, Nu Sulindac, Nu-Sulindac, Apo Sulin, Apo-Sulin, Copal rosin varnish, (R)-Sulindac, Merck Brand of Sulindac, UNII-184SNS8VUH, Apotex Brand of Sulindac, Chemia Brand of Sulindac, KendrickBrand of Sulindac, D0Z5IU, Novopharm Brand of Sulindac, Nu Pharm Brand of Sulindac, Nu-Pharm Brand of Sulindac, Sulindac (JAN/USP/INN), 184SNS8VUH, Alphapharm Brand of Sulindac, MK231, UNII-M5221THD3M, MK-231, Sulindac [USAN:INN:BAN:JAN], C20-H17-F-O3-S, EINECS 232-527-9, Cahill May Roberts Brand of Sulindac, CID1548887, CS-T-42976, Merck Sharp & Dohme Brand of Sulindac, B2044, Sulindac, 98%, a COX inhibitor - 1G 1g, D013467, 9000-14-0, cis-5-fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic acid, Z-5-Fluoro-2-methyl-1-[p-(methlsulfinyl)benzylidene]indene-3-acetic acid, (1Z)-5-Fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-1H-indene-3-acetic acid, (Z)-2-(3-(4-(methylsulfinyl)benzylidene)-6-fluoro-2-methyl-3H-inden-1-yl)acetic acid, (Z)-5-Fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic acid, {(1E)-5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl}acetic acid, {5-fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1h-inden-3-yl}acetic acid, 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-((4-(methylsulfinyl)phenyl)methylene)-, 1H-Indene-3-acetic acid, 5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-, (Z)-, 1H-Indene-3-aceticacid, 5-fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-, (1Z)-, 2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid, 2-[6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid, 5-fluoro-2-methyl-1-[[4-(methylsulphinyl)phenyl]methylene]-1H-indene-3-acetic acid, (E)-(1)-5-Fluoro-2-methyl-1-((4-(methylsulphinyl)phenyl)methylene)-1H-indene-3-acetic acid, (Z)-(+-)-5-fluoro-2-methyl-1-[[4-(methylsulphinyl)phenyl]methylene]-1H-indene-3-acetic acid, [(1E)-5-fluoro-2-methyl-1-{[4-(methylsulfinyl)phenyl]methylidene}-1H-inden-3-yl]acetic acid, 49627-22-7, Copals. Extractives and their physically modified derivatives. It is a product which may contain resin acids and their esters, terpenes, and oxidation or polymerization products of these terpenes. (Trachylobium or Hymenaea courbaril, Leguminosae),

Complexity	616
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	356.088g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	356.411g/mol
Monoisotopic Mass	356.088g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	73.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H317-H334-H361
Packing Group	Ⅲ
Precautionary statements	P201-P301+P310a-P405-P501a-P261-P280-P284-P304+P340-P342+P311-P301+P310
UN Code	UN 2811

Certificate of Analysis

Lot Number