Products 384329-76-4

CAS 384329-76-4 appears in our catalog under these names: Abacavir 5'-β-D-glucuronide, Abacavir 5''-b-D-glucuronide, 98.00%. Offered by: Biosynth, Chemat. Available pack sizes: 2mg, 1mg, 10mg, 5mg, 25mg.

Structural formula: {0} (CAS {1})

Abacavir 5'-glucuronide is a glucosiduronic acid derivative formed by linkage of beta-D-glucosiduronic acid with the 5'-oxygen of abacavir. One of the two major metabolites of abacavir in humans (the other is the 5'-carboxylic acid, CHEBI:64192). It has a role as a metabolite. It is functionally related to an abacavir.

Source: ChEBI

Identity
Molecular formulaC20H26N6O7
Molecular weight462.5 g/mol
IUPAC name(2S,3S,4S,5R,6R)-6-[[(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyWGTDUQBKKUUVMK-OLMRCODSSA-N
SMILESC1CC1NC2=C3C(=NC(=N2)N)N(C=N3)[C@@H]4C[C@@H](C=C4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O

Computed by PubChem (NCBI)