Abacavir carboxylate

Name: Abacavir carboxylate
CAS#: 384380-52-3 (caeboxylate)
Chemical Formula: C14H16N6O2
Exact Mass: 300.1335
Molecular Weight: 300.32
Elemental Analysis: C, 55.99; H, 5.37; N, 27.98; O, 10.65

Description: Abacavir carboxylate is an inactive metabolite of the HIV-1 reverse transcriptase inhibitor abacavir. It is formed from abacavir via reactive aldehyde intermediates that can form adducts with proteins on valine residues.

IUPAC/Chemical Name: (1S,4R)-4-[2-amino-6-(cyclopropylamino)-9H-purin-9-yl]-2-cyclopentene-1-carboxylic acid

InChi Key: OCSMNHMMTKMVCP-APPZFPTMSA-N

InChi Code: InChI=1S/C14H16N6O2/c15-14-18-11(17-8-2-3-8)10-12(19-14)20(6-16-10)9-4-1-7(5-9)13(21)22/h1,4,6-9H,2-3,5H2,(H,21,22)(H3,15,17,18,19)/t7-,9+/m1/s1

SMILES Code: NC1=NC(N([C@H]2C=C[C@@H](C(O)=O)C2)C=N3)=C3C(NC4CC4)=N1

Appearance: Solid powder