07527

O-Desmethylindomethacin

analytical standard

• Synonym(s): 1-(4-Chlorobenzoyl)-5-hydroxy-2-methyl-3-indoleacetic acid, 5-Hydroxyindomethacin, Demethylindomethacin
• Empirical Formula (Hill Notation): C₁₈H₁₄ClNO₄
• CAS Number: 2504-32-7
• Molecular Weight: 343.76
• Beilstein/REAXYS Number: 443408
• MDL number: MFCD11978028
• UNSPSC Code: 12352200
• PubChem Substance ID: 329748467
• NACRES: NA.76

Properties

• grade: analytical standard
• Quality Level: 100
• assay: ≥97.0% (HPLC)
• shelf life: limited shelf life, expiry date on the label
• technique(s): HPLC: suitable; gas chromatography (GC): suitable
• application(s): forensics and toxicology; pharmaceutical (small molecule)
• format: neat
• SMILES string: CC1=C(CC(O)=O)C2=CC(O)=CC=C2N1C(C3=CC=C(Cl)C=C3)=O
• InChI: 1S/C18H14ClNO4/c1-10-14(9-17(22)23)15-8-13(21)6-7-16(15)20(10)18(24)11-2-4-12(19)5-3-11/h2-8,21H,9H2,1H3,(H,22,23)
• InChI key: KMLNWQPYFBIALN-UHFFFAOYSA-N

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3