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rac N-Desbutyroyl Acebutolol-[d5]

General Information
Catalog: BLP-004030
CAS: 1329613-82-2
Molecular Formula: C14H17D5N2O3
Molecular Weight: 271.37
Chemical Structure
rac N-Desbutyroyl Acebutolol-[d5]
Description Rac N-Desbutyroyl Acebutolol-[d5] is the major labelled metabolite of Acebutolol.
Synonyms (+/-)-1-[5-Amino-2-[2-hydroxy-3-[(1-methylethyl)amino]propoxy-d5]phenyl]ethanone; DL-1-(2-Acetyl-4-aminophenoxy)-3-isopropylamino(propan-d5)-2-ol; M and B 17127
IUPAC Name 1-[5-amino-2-[1,1,2,3,3-pentadeuterio-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]ethanone
Related CAS 57898-80-3 (unlabelled)
Canonical SMILES CC(C)NCC(COC1=C(C=C(C=C1)N)C(=O)C)O
InChI InChI=1S/C14H22N2O3/c1-9(2)16-7-12(18)8-19-14-5-4-11(15)6-13(14)10(3)17/h4-6,9,12,16,18H,7-8,15H2,1-3H3/i7D2,8D2,12D
InChI Key DBUJVRULIBQHKT-YKXHHFFSSA-N
Purity 98%

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