(1,8-Diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid | CAS No. 41340-25-4

(1,8-Diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetic acid

Basic Information

CAS Number

41340-25-4

Molecular Formula

C17H21NO3

Molecular Weight

287.36 g/mol

AD

Basic Physical Properties

Melting Point

148°C

Boiling Point

507.9 °C at 760 mmHg

Density

1.193

Flash Point

260.9 °C

CCC1=C2C(=CC=C1)C3=C(N2)C(OCC3)(CC)CC(=O)O

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)

InChIKey

NNYBQONXHNTVIJ-UHFFFAOYSA-N

LogP

3.383000000000002

pKa

4.65(at 25℃)

Topological Polar Surface Area

62.32000000000001 Ų

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

400

Safety Information

View Safety Information

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral
H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

  • 2-((1RS)-1,8-Diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indol-1-yl)acetic acid
  • NCGC00089769-06
  • Etodolac, European Pharmacopoeia (EP) Reference Standard
  • Etodlic Acid
  • NCGC00015399-11
  • DB00749
  • Prestwick0_000231
  • NCGC00015399-06
  • KBio1_000147
  • BPBio1_000333
  • ETODOLAC (MART.)
  • CHEMBL622
  • Lodine
  • NSC 282126
  • NSC757821
  • Tox21_500479
  • Edolan
  • EU-0100479
  • 1,8-diethyl-1,3,4,9-tetrahydropyrano(3,4-b)indol-1-ylacetic acid
  • Eccoxolac
  • NSC-282126
  • Etodolac [USAN:USP:INN:BAN]
  • 1,8-diethyl-1,3,4,9-tetrahydro-pyrano[3,4-b]indole-1-acetic acid
  • IDI1_000147
  • HMS1921B09
  • AY-24,236
  • Etodolacum
  • AC-4231
  • MLS001077315
  • (rs)-etodolic acid
  • D00315

MDL Number

MFCD00133313

Customs Code

2934999090

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