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Chemical structure of Isoprinosine

GC18042

Isoprinosine

Also known as tris(4-acetamidobenzoic acid);9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one;tris(1-(dimethylamino)propan-2-ol)

Isoprinosine is a potent, broad-spectrum antiviral compound for HIV infection

ChemicalCAS36703-88-5MW1115.2FormulaC10H12N4O5 • 3C9H9NO3 • 3C5H13NO
CAS number
36703-88-5
Molecular weight
1115.2
Formula
C10H12N4O5 • 3C9H9NO3 • 3C5H13NO
Solubility
≤14mg/ml in DMSO;2mg/ml in dimethyl formamide
InChIKey
YLDCUKJMEKGGFI-QCSRICIXSA-N
Catalogue number
GC18042
Brand
GLPBIO
Computed properties PubChem CID 135449284 · TPSA 399 Ų · H-bond donors 13 · H-bond acceptors 22
TPSA
399 Ų
H-bond donors
13
H-bond acceptors
22
Rotatable bonds
14
Heavy atoms
79

SMILES CC(CN(C)C)O.CC(CN(C)C)O.CC(CN(C)C)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.CC(=O)NC1=CC=C(C=C1)C(=O)O.C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

Computed descriptors from PubChem (CID 135449284), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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