Amitriptyline N-Oxide
[CAS# 4317-14-0]

Identification

• Name: Amitriptyline N-Oxide
• Synonyms: Ncgc00014514; Nsc-176555; 1-Propanamine, 3-(10,11-Dihydro-5H-Dibenzo(A,D)Cyclohepten-5-Ylidene)-N,N-Dimethyl-N-Oxide
• Molecular Formula: C₂₀H₂₃NO
• Molecular Weight: 293.41
• CAS Registry Number: 4317-14-0
• SMILES: C1=CC=CC2=C1C(C3=C(CC2)C=CC=C3)=CCC[N+](C)(C)[O-]
• InChI: 1S/C20H23NO/c1-21(2,22)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H2,1-2H3
• InChIKey: ZPMKQFOGINQDAM-UHFFFAOYSA-N

References

• (1): Franco Lombardo, R. Scott Obach, Marina Y. Shalaeva, and Feng Gao. Prediction of Human Volume of Distribution Values for Neutral and Basic Drugs. 2. Extended Data Set and Leave-Class-Out Statistics, J. Med. Chem., 2004, 47(5), 1242-1250