Aceclofenac

C16H13Cl2NO4CAS 89796-99-6354.18 g/mol

Open in Covalent MOL file
OOHOONHClCl
Aryl halideCarboxylic acidEsterSecondary amine

Properties

Molecular formula
C16H13Cl2NO4
Molar mass
354.18 g/mol
Exact mass
353.0222 Da
Melting point
149–150 °C
logP
3.91Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)Environmental Hazard (GHS09)

Aggregated from 96 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P391, P405, P501

Identifiers

CAS number
89796-99-6
SMILES
O=C(O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIKey
MNIPYSSQXLZQLJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H13Cl2NO4/c17-11-5-3-6-12(18)16(11)19-13-7-2-1-4-10(13)8-15(22)23-9-14(20)21/h1-7,19H,8-9H2,(H,20,21)

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Names and synonyms

24 names · show all
  • Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, carboxymethyl ester
  • Falcol
  • Gerbin
  • 2-[[2-[(2,6-Dichlorophenyl)amino]phenyl]acetoxy]acetic acid
  • Airtal
  • Tresquim
  • Biofenac
  • PR 82/3
  • Aceclofar
  • Bristaflam
  • Glycolic acid 2-[o-(2,6-dichloroanilino)phenyl]acetate
  • Zerodol
  • Hifenac
  • Preservex
  • [2-[(2,6-Dichlorophenyl)amino]phenyl]acetoxyacetic acid
  • Hifenac-TL
  • Dolokind
  • Acepac
  • Flexidol
  • Aceclofenac BP
  • Aceclo
  • Aceclo plus
  • [2-(2,6-Dichloro-phenylamino)-phenyl]-acetic acid carboxymethyl ester
  • 2-[2-[2-(2,6-Dichloroanilino)phenyl]acetyl]oxyacetic acid

Work with Aceclofenac

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diclofenac15307-86-573 % similar Diclofenac diethylamine78213-16-863 % similar Diclofenac epolamine119623-66-457 % similar Diclofenac sodium15307-79-652 % similar Diclofenac potassium15307-81-052 % similar o-Chlorophenylacetic acid2444-36-248 % similar 2-Anilinophenylacetic acid70172-33-747 % similar Lumiracoxib220991-20-845 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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