Rociclovir
Basic information
- CAS
108436-80-2- Standard SMILES
CC(C)OCC(COC(C)C)OCn1cnc2cnc(N)nc21- InChIKey
FBHWXSOQXQBXER-UHFFFAOYSA-N- Molecular formula
- C15H25N5O3
- Average molar mass
- 323.39 g/mol
- Monoisotopic mass
- 323.19573968
Overview
Rociclovir is a small molecule drug. The usage of the INN stem '-ciclovir' in the name indicates that Rociclovir is a antiviral, bicyclic heterocycle compound. Rociclovir has a monoisotopic molecular weight of 323.2 Da.
Names & identifiers
- Preferred name
- Rociclovir
- IUPAC
- 9-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]purin-2-amine
- English name
- Rociclovir
- Molecular formula
- C15H25N5O3
- Molecular weight
- 323.39
Names & synonyms
Rociclovir108436-80-2RociclovirumHOE-6029-[1,3-di(propan-2-yloxy)propan-2-yloxymethyl]purin-2-amine6DF29U51Y7Hoe 602DTXSID101485482-Amino-9-((2-isopropoxy-1-(isopropoxymethyl)ethoxy)methyl)purine9-(1,3-di(propan-2-yloxy)propan-2-yloxymethyl)purin-2-amineRefChem:179756DTXCID6071039
Show more names
Rociclovir [INN]9H-Purin-2-amine, 9-[[2-(1-methylethoxy)-1-[(1-methylethoxy)methyl]ethoxy]methyl]-Rociclovirum [INN-Latin]UNII-6DF29U51Y7CHEMBL111232orb1741420SCHEMBL1228859SCHEMBL29573658
Database identifiers
- CAS
108436-80-2- PubChem CID
- 65905
- DTXSID
DTXSID10148548- ChEMBL
CHEMBL111232- UNII
- 6DF29U51Y7
- Nikkaji
- J561.850I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- FDA UNII
- 6 DF29U51Y7 · 6DF29U51Y7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesRociclovir (HOE 602) is an acyclic nucleoside derivative. Rociclovir protects mice against HSV and MCMV infections, but lacks antiviral activity in cell cultures[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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