(S)-etodolac

Base Information Edit

Chemical Name:(S)-etodolac
CAS No.:87249-11-4
Molecular Formula:C17H21NO3
Molecular Weight:287.359
Hs Code.:9999999999
UNII:1046G5D6YD
DSSTox Substance ID:DTXSID201043544
Nikkaji Number:J417.811D
Wikidata:Q27127225
Metabolomics Workbench ID:61090
ChEMBL ID:CHEMBL1315939
Mol file:87249-11-4.mol

Synonyms:(S)-etodolac;87249-11-4;(S)-(+)-etodolac;Etodolac, (S)-;(+)-etodolac;(+)-Etodolic acid;S-Etodolac;RAK-592;UNII-1046G5D6YD;1046G5D6YD;Pyrano(3,4-b)indole-1-acetic acid, 1,3,4,9-tetrahydro-1,8-diethyl-, (S)-;BRN 5761988;[(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid;CHEBI:60371;2-[(1S)-1,8-diethyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl]acetic acid;(+)-1,8-Diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetic acid;Etodolac (Lodine);(+)-[1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid;(+)-(S)-Etodolac;(S)-(+)-Etodolic Acid;Lopac-E-0516;SCHEMBL3904;S-ETODOLAC [WHO-DD];CHEMBL1315939;DTXSID201043544;HMS3651M07;AKOS030254239;NCGC00015399-01;NCGC00015399-02;NCGC00015399-10;SW219855-1;Q27127225;(1S)-1,8-DIETHYL-1,3,4,9-TETRAHYDROPYRANO(3,4-B)INDOLE-1-ACETIC ACID;2-[(1S)-1,8-DIETHYL-1H,3H,4H,9H-PYRANO[3,4-B]INDOL-1-YL]ACETIC ACID;PYRANO(3,4-B)INDOLE-1-ACETIC ACID, 1,8-DIETHYL-1,3,4,9-TETRAHYDRO-, (1S)-;PYRANO(3,4-B)INDOLE-1-ACETIC ACID, 1,8-DIETHYL-1,3,4,9-TETRAHYDRO-, (S)-;147170-17-0;8QP

Suppliers and Price of (S)-etodolac

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

TRC
(S)-(+)-Etodolac
50mg
$ 1295.00

American Custom Chemicals Corporation
(+)-(S)-ETODOLAC 95.00%
5MG
$ 505.09

Total 5 raw suppliers

Chemical Property of (S)-etodolac Edit

Chemical Property:

Vapor Pressure:2.22E-08mmHg at 25°C
Melting Point:>133°C (dec.)
Boiling Point:452.6°Cat760mmHg
Flash Point:227.5°C
PSA：62.32000
Density:1.165g/cm³
LogP:3.38300
Storage Temp.:-20°C Freezer
Solubility.:Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:287.15214353
Heavy Atom Count:21
Complexity:400

Purity/Quality:

97% ^*data from raw suppliers

(S)-(+)-Etodolac ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O
Isomeric SMILES:CCC1=C2C(=CC=C1)C3=C(N2)[C@](OCC3)(CC)CC(=O)O
Uses The S-enantiomer of Etodolac (E933090). Anti-inflammatory; analgesic.

Technology Process of (S)-etodolac

There total 5 articles about (S)-etodolac 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: 33.0%

: 2,2-Dimethyl-propionic acid 2-(1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetoxymethyl ester

: 87226-41-3
(R)-etodolac

: 87249-11-4
(S)-etodolac

: 2,2-Dimethyl-propionic acid 2-((S)-1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indol-1-yl)-acetoxymethyl ester

Guidance literature:: With Lipase QL; In di-isopropyl ether; water; Ambient temperature;
DOI:10.3987/com-97-s53

Reference yield:

: 957229-37-7
6-O-[1(S)-1,8-diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetyl]-β-cyclodextrin

: 87249-11-4
(S)-etodolac

: 7585-39-9
β‐cyclodextrin

Guidance literature:: 6-O-[1(S)-1,8-diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole-1-acetyl]-β-cyclodextrin; With sodium hydroxide; water; at 20 ℃; for 2h;

In water; Acidic aqueous solution;