N-Desmethyl Imatinib-[d8]
[CAS# 1185103-28-9]

Identification

• Name: N-Desmethyl Imatinib-[d8]
• Synonyms: N-Desmethyl Gleevec-d8
• Molecular Formula: C₂₈H₂₁N₇OD₈
• Molecular Weight: 487.64
• CAS Registry Number: 1185103-28-9
• SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCNCC3)NC4=NC=CC(=N4)C5=CN=CC=C5
• InChI: 1S/C28H29N7O/c1-20-4-9-24(17-26(20)34-28-31-12-10-25(33-28)23-3-2-11-30-18-23)32-27(36)22-7-5-21(6-8-22)19-35-15-13-29-14-16-35/h2-12,17-18,29H,13-16,19H2,1H3,(H,32,36)(H,31,33,34)/i13D2,14D2,15D2,16D2
• InChIKey: BQQYXPHRXIZMDM-DBVREXLBSA-N

Properties

• Melting point: 97-103°C (Expl.)