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Chemical structure of Inarigivir ammonium

GC63021

Inarigivir ammonium

Also known as 1-[(2R,3R,4R,5R)-4-[[(2R,3S,5R)-5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]pyrimidine-2,4-dione;azane

Inarigivir (ORI-9020) ammonium is a dinucleotide antiviral drug that can significantly reduce liver HBV DNA in transgenic mice expressing hepatitis B virus

ChemicalCAS2172788-92-8MW604.53FormulaC20H29N8O10PS
CAS number
2172788-92-8
Molecular weight
604.53
Formula
C20H29N8O10PS
Solubility
H2O:100 mg/mL(165·42 mM; Need ultrasonic);DMSO : 100 mg/mL (165·42 mM; Need ultrasonic)
InChIKey
CAUBLFJDYDLFRY-NJCNYLKWSA-N
Catalogue number
GC63021
Brand
GLPBIO
Computed properties PubChem CID 162623408 · TPSA 259 Ų · H-bond donors 6 · H-bond acceptors 16
TPSA
259 Ų
H-bond donors
6
H-bond acceptors
16
Rotatable bonds
9
Heavy atoms
40

SMILES CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)OP(=S)(O)OC[C@@H]3[C@H](C[C@@H](O3)N4C=NC5=C(N=CN=C54)N)O.N

Computed descriptors from PubChem (CID 162623408), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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