trans-Sulindac

Base Information Edit

Chemical Name:trans-Sulindac
CAS No.:53933-60-1
Deprecated CAS:61812-46-2
Molecular Formula:C20H17FO3S
Molecular Weight:356.418
Hs Code.:2930902000
European Community (EC) Number:250-893-8,253-819-2,256-402-3,258-873-0
UNII:5NVO8803F9
DSSTox Substance ID:DTXSID90860554
Nikkaji Number:J278.221I,J279.593K
Wikipedia:Sulindac
Wikidata:Q27262612
ChEMBL ID:CHEMBL1376
Mol file:53933-60-1.mol

Synonyms:trans-Sulindac;53933-60-1;38194-50-2;Sulindac sulfoxide;Sulindac, trans-;R-Sulindac Sulfoxide;Sulindac (Clinoril);MFCD00599589;Algocetil;Citireuma;Clisundac;Imbaral;Reumofil;Sulinol;Sudac;UNII-5NVO8803F9;2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]acetic acid;5NVO8803F9;EINECS 258-873-0;Sulindac, trans-(S)-;UNM-0000306136;(E)-2-(5-fluoro-2-methyl-1-(4-(methylsulfinyl)benzylidene)-1H-inden-3-yl)acetic acid;SULINDAC RELATED COMPOUND A (20 MG) (TRANS-SULINDAC);(1Z)-5-Fluoro-2-methyl-1-[[4-(methylsulfinyl)phenyl]methylene]-1H-indene-3-acetic acid;(E)-(1)-5-Fluoro-2-methyl-1-((4-(methylsulphinyl)phenyl)methylene)-1H-indene-3-acetic acid;49627-22-7;SMR000043852;UNII-RM8X801977;Sulindac [USAN:INN:BAN:JAN];Reumyl;C20-H17-F-O3-S;32004-68-5;Prestwick_456;Prestwick2_000073;CHEMBL1376;MLS001304027;MLS002207124;SCHEMBL755984;cis-5-fluoro-2-methyl-1-[p-(methylsulfinyl)benzylidene]indene-3-acetic acid;BDBM54707;cid_1548885;DTXSID90860554;((1Z)-5-Fluoro-2-methyl-1-[4-(methylsulfinyl)benzylidene]-1H-inden-3-yl)acetic acid;{(1E)-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)-;HMS1568O07;HMS2089J04;HMS2233D04;[(1E)-5-fluoro-2-methyl-1-{[4-(methylsulfinyl)phenyl]methylidene}-1H-inden-3-yl]acetic acid;61812-46-2;SULINDAC, TRANS-(+/-)-;BBL010958;STK802068;AKOS004119989;AC-4550;NCGC00188951-01;SULINDAC IMPURITY A [EP IMPURITY];BRD-A03427350-001-01-3;Q27262612;(E)-(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)-, (E)-;2-[(3E)-6-fluoro-2-methyl-3-(4-methylsulfinylbenzylidene)inden-1-yl]acetic acid;2-[(3E)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid;5-Fluoro-1-[4-(methylsulfinyl)benzylidene]-2-methyl-1H-indene-3-acetic acid;5-Fluoro-2-methyl-1-[(E)-[4-(methylsulfinyl)phenyl]methylene]-1H-indene-3-acetic acid;(E)-(+-)-5-fluoro-2-methyl-1-[[4-(methylsulphinyl)phenyl]methylene]-1H-indene-3-acetic acid;1H-INDENE-3-ACETIC ACID, 5-FLUORO-2-METHYL-1-((4-(METHYLSULFINYL)PHENYL)METHYLENE)-, (1E)-;2-[(3E)-6-fluoranyl-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanoic acid

Suppliers and Price of trans-Sulindac

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Sigma-Aldrich
Sulindac Related Compound A
20mg
$ 1260.00

Total 8 raw suppliers

Chemical Property of trans-Sulindac Edit

Chemical Property:

Boiling Point:581.6±50.0 °C(Predicted)
PKA:4.26±0.10(Predicted)
PSA：73.58000
Density:1.38±0.1 g/cm3(Predicted)
LogP:5.23120
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:356.08824374
Heavy Atom Count:25
Complexity:616

Purity/Quality:

98%Min ^*data from raw suppliers

Sulindac Related Compound A ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
Isomeric SMILES:CC\1=C(C2=C(/C1=C/C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
Recent EU Clinical Trials:The intestinal disposition of sulindac in healthy volunteers
Uses trans-Sulindac is an isomer of (Z)-Sulindac (S699215), a non-steroidal anti-inflammatory drug.

Technology Process of trans-Sulindac

There total 5 articles about trans-Sulindac which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.0%