| Identification | Back Directory | [Name]
(+/-)-IBUPROFEN-D3 | [CAS]
121662-14-4 | [Synonyms]
IBUPROFEN-D3
rac Ibuprofen-d3
(+/-)-IBUPROFEN-D3
IBUPROFEN-METHYL-D3
Ibuprofen D3 (Racemic)
(+/-)-IBUPROFEN-D3 (ALPHA-METHYL-D3)
2-(4-Isobutylphenyl)propionic Acid-d3
α-Methyl-d3-4-(isobutyl)phenylacetic acid | [Molecular Formula]
C13H15D3O2 | [MDL Number]
MFCD06658737 | [MOL File]
121662-14-4.mol | [Molecular Weight]
209.3 |
| Chemical Properties | Back Directory | [Appearance]
Colourless Crystalline Solid | [Melting point ]
69-71°C | [Fp ]
9℃ | [storage temp. ]
-20°C Freezer | [solubility ]
Acetonitrile (Slightly), Chloroform (Sparingly), Ethanol (Slightly, Sonicated), | [form ]
Solid | [color ]
White to Pale Beige | [Major Application]
clinical testing | [InChI]
1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/i3D3 | [InChIKey]
HEFNNWSXXWATRW-HPRDVNIFSA-N | [SMILES]
CC(C)CC1=CC=C(C(C([2H])([2H])[2H])C(O)=O)C=C1 | [EPA Substance Registry System]
Benzeneacetic acid, ?-(methyl-d3)-4-(2-methylpropyl)- (121662-14-4) |
| Hazard Information | Back Directory | [Chemical Properties]
Colourless Crystalline Solid | [Uses]
Labeled Ibuprofen, intended for use as an internal standard for the quantification of Ibuprofen by GC- or LC-mass spectrometry. | [Uses]
Labelled Ibuprofen, a selective cyclooxygenase inhibitor (IC50=14.9uM). Inhibits PGH synthase-1 and PGH synthase-2 with comparable potency |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,N | [Risk Statements ]
22-51/53 | [Safety Statements ]
61 | [RIDADR ]
UN3077 9/PG 3 | [WGK Germany ]
WGK 2 | [Storage Class]
3 - Flammable liquids | [Hazard Classifications]
Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Flam. Liq. 2
STOT SE 1 |
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