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Azvudine hydrochloride

CAT: 1410-M35064-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Azvudine hydrochloride (RO-0622) is a potent nucleoside reverse transcriptase inhibitor (NRTI) with strong antiviral effects against HIV, HBV, and HCV. It demonstrates highly potent inhibition of HIV-1 (EC50 ranging from 0.03 to 6.92 nM) and HIV-2 (EC50 ranging from 0.018 to 0.025 nM), and effectively inhibits NRTI-resistant viral strains.
CAS Number
1333126-31-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
322.68
Molecular Formula
C9H12ClFN6O4
Notes
Research use only, not for human use.
Receptor
HCV Protease | Antiviral | HBV | HIV Protease

Chemical Information

Azvudine hydrochloride
CAS Number1333126-31-0
PubChem CID54579399
IUPAC Name4-amino-1-[(2R,3S,4R,5R)-5-azido-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydrochloride
Molecular FormulaC9H12ClFN6O4
Molecular Weight322.68
Topological Polar Surface Area123
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity533
SMILES
C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@](O2)(CO)N=[N+]=[N-])O)F.Cl
InChI
InChI=1S/C9H11FN6O4.ClH/c10-5-6(18)9(3-17,14-15-12)20-7(5)16-2-1-4(11)13-8(16)19;/h1-2,5-7,17-18H,3H2,(H2,11,13,19);1H/t5-,6-,7+,9+;/m0./s1
InChIKey
MKMLHJHSIBILJH-DBSFTZRASA-N
Chemical Structure
2D Structure
2D structure of Azvudine hydrochloride
CAS: 1333126-31-0
CID: 54579399
Formula: C9H12ClFN6O4
MW: 322.68
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.68
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass322.0592587
Monoisotopic Mass322.0592587
Topological Polar Surface Area123 Ų
Heavy Atom Count21
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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