(S)-(+)-Ibuprofen D3

Base Information

• Chemical Name: (S)-(+)-Ibuprofen D3
• CAS No.: 1329643-44-8
• Molecular Formula: C13H18O2
• Molecular Weight: 209.30
• Nikkaji Number: J2.982.347B
• Mol file: 1329643-44-8.mol

Synonyms:(S)-(+)-Ibuprofen D3;1329643-44-8;(S)-(+)-Ibuprofen-d3;(2S)-3,3,3-trideuterio-2-[4-(2-methylpropyl)phenyl]propanoic acid;(2S)-2-[4-(2-methylpropyl)phenyl](3,3,3-?H?)propanoic acid;(+)-Ibuprofen-d3;51146-56-6 unlabeled;SCHEMBL14364959;HY-78131AS;AKOS040737112;MS-23152;CS-0019818;(alphaS)-alpha-(Methyl-d3)-4-(2-methylpropyl)benzeneacetic Acid

Chemical Property of (S)-(+)-Ibuprofen D3

Chemical Property:

• Storage Temp.: -20°C Freezer
• Solubility.: Ethyl Acetate (Slightly), Methanol (Slightly)
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 209.149510051
• Heavy Atom Count: 15
• Complexity: 203

Purity/Quality:

99%+, ^*data from raw suppliers

(S)-(+)-Ibuprofen-d3 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)CC1=CC=C(C=C1)C(C)C(=O)O
• Isomeric SMILES: [2H]C([2H])([2H])[C@@H](C1=CC=C(C=C1)CC(C)C)C(=O)O
• Uses: A labelled nonsteroidal anti-inflammatory drug (NSAID); activity resides primarily in the (S)-isomer.