Etodolac

C17H21NO3CAS 41340-25-4287.36 g/mol

Open in Covalent MOL file
NHOOHO
Carboxylic acidEther

Properties

Molecular formula
C17H21NO3
Molar mass
287.36 g/mol
Exact mass
287.1521 Da
Melting point
146.5 °C
logP
3.38Crippen estimate
Polar surface area
62.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P318, P321, P330, P337+P317, P405, P501

Identifiers

CAS number
41340-25-4
SMILES
CCc1cccc2c3c([nH]c12)C(CC)(CC(=O)O)OCC3
InChIKey
NNYBQONXHNTVIJ-UHFFFAOYSA-N
InChI
InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)

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Names and synonyms

23 names · show all
  • Pyrano[3,4-b]indole-1-acetic acid, 1,8-diethyl-1,3,4,9-tetrahydro-
  • (RS)-Etodolic acid
  • Lodine
  • Zedolac
  • Ultradol
  • Tedolan
  • Ramodar
  • Edolan
  • NSC 282126
  • Etogesic
  • Lodin XL
  • Napilac
  • Etodine
  • Eccoxolac
  • 1,8-Diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-acetic acid
  • Flancox
  • Etopan
  • 2-(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
  • Etodolic acid
  • AY 24236
  • NIH 9918
  • (±)-Etodolac

Work with Etodolac

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

Methyl 1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetate122188-02-774 % similar EHIDA63245-28-333 % similar 7-Ethyl-1H-indole-3-ethanol41340-36-733 % similar 3-Benzyl-3-methylpentanoic acid53663-16-432 % similar 3-(1-Naphthyl)-propionic acid3243-42-332 % similar 2-Ethoxyphenylacetic acid70289-12-231 % similar 1-Naphthaleneacetic acid86-87-331 % similar 7-Ethyl-1H-indole-3-carbaldehyde154989-45-431 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(-)-Galantamine357-70-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook