CAS 229308-90-1 | Benzeneacetic acid, 2-[(2,6-dichloro-4-hydroxyphenyl)amino]-, carboxymethyl ester | CAS Number 229308-90-1

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229308-90-1 | Benzeneacetic acid, 2-[(2,6-dichloro-4-hydroxyphenyl)amino]-, carboxymethyl ester

CAS No: 229308-90-1 Catalog No: AG002LJZ MDL No:

Product Description

Catalog Number:

AG002LJZ

Chemical Name:

Benzeneacetic acid, 2-[(2,6-dichloro-4-hydroxyphenyl)amino]-, carboxymethyl ester

CAS Number:

229308-90-1

Molecular Formula:

C16H13Cl2NO5

Molecular Weight:

370.1841

IUPAC Name:

2-[2-[2-(2,6-dichloro-4-hydroxyanilino)phenyl]acetyl]oxyacetic acid

InChI:

InChI=1S/C16H13Cl2NO5/c17-11-6-10(20)7-12(18)16(11)19-13-4-2-1-3-9(13)5-15(23)24-8-14(21)22/h1-4,6-7,19-20H,5,8H2,(H,21,22)

InChI Key:

BTDFYMBLEDMWOK-UHFFFAOYSA-N

SMILES:

OC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cc(cc1Cl)O

Properties

Complexity:

438

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

369.017g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

370.182g/mol

Monoisotopic Mass:

369.017g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Quantitative determination of aceclofenac and its three major metabolites in rat plasma by HPLC-MS/MS.	Journal of separation science 20120901
Simultaneous determination of aceclofenac and its three metabolites in plasma using liquid chromatography-tandem mass spectrometry.	Journal of pharmaceutical and biomedical analysis 20080213
Aceclofenac: a reappraisal of its use in the management of pain and rheumatic disease.	Drugs 20010101