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O-Desmethyl Indomethacin-[d4]

General Information
Catalog: BLP-003635
CAS: 1189916-55-9
Molecular Formula: C18H10D4ClNO4
Molecular Weight: 347.79
Chemical Structure
O-Desmethyl Indomethacin-[d4]
Description O-Desmethyl Indomethacin-[d4], is the labelled analogue of O-Desmethyl Indomethacin, which is a metabolite of Indomethacin. Indometacin is a nonsteroidal anti-inflammatory drug commonly used as a prescription medication to reduce fever, pain, stiffness, and swelling from inflammation.
Synonyms O-Desmethyl Indomethacin D4
IUPAC Name 2-[1-(4-chloro-2,3,5,6-tetradeuteriobenzoyl)-5-hydroxy-2-methylindol-3-yl]acetic acid
Related CAS 2504-32-7 (unlabelled)
Isomeric SMILES [2H]C1=C(C(=C(C(=C1C(=O)N2C(=C(C3=C2C=CC(=C3)O)CC(=O)O)C)[2H])[2H])Cl)[2H]
Canonical SMILES CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)O)CC(=O)O
InChI 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)/i2D,3D,4D,5D
InChI Key KMLNWQPYFBIALN-QFFDRWTDSA-N
Boiling Point 518.8±50.0°C at 760 mmHg
Melting Point 213-215°C (dec.)
Density 1.4±0.1 g/cm3
Solubility Soluble in DMSO, Methanol
Appearance Off-white Solid
Storage Store at-20°C

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