Diacetolol D7

Base Information

• Chemical Name: Diacetolol D7
• CAS No.: 1346604-19-0
• Molecular Formula: C16H24N2O4
• Molecular Weight: 315.42
• Mol file: 1346604-19-0.mol

Synonyms:Diacetolol D7;rac Diacetolol-d7;1346604-19-0;racDiacetolol-d7;N-[3-acetyl-4-[3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-hydroxypropoxy]phenyl]acetamide;AKOS040732978;HY-100635S;CS-0019868

Chemical Property of Diacetolol D7

Chemical Property:

• XLogP3: 0.9
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 315.21754447
• Heavy Atom Count: 22
• Complexity: 373

Purity/Quality:

97% ^*data from raw suppliers

racDiacetolol-d7 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)NCC(COC1=C(C=C(C=C1)NC(=O)C)C(=O)C)O
• Isomeric SMILES: [2H]C([2H])([2H])C([2H])(C([2H])([2H])[2H])NCC(COC1=C(C=C(C=C1)NC(=O)C)C(=O)C)O
• Uses: A labelled principal metabolite of Acebutolol (A123800) with less β-adrenoceptor blocking potency but greater cardioselectivity (atrial relative to tracheal tissue).

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