Basic information
- CAS
84408-37-7- Standard SMILES
Nc1ncc2ncn(COCCO)c2n1- InChIKey
OKQHSIGMOWQUIK-UHFFFAOYSA-N- Molecular formula
- C8H11N5O2
- Average molar mass
- 209.21 g/mol
- Monoisotopic mass
- 209.09127461
Overview
Desciclovir is a small molecule drug. The usage of the INN stem '-ciclovir' in the name indicates that Desciclovir is a antiviral, bicyclic heterocycle compound. Desciclovir has a monoisotopic molecular weight of 209.09 Da.
Names & identifiers
- Preferred name
- Desciclovir
- IUPAC
- 2-[(2-aminopurin-9-yl)methoxy]ethanol
- English name
- Desciclovir
- Molecular formula
- C8H11N5O2
- Molecular weight
- 209.21
Names & synonyms
DESCICLOVIR84408-37-76-Deoxyacyclovir2-[(2-aminopurin-9-yl)methoxy]ethanolBW A515UDesciclovirumBHM1XXA2EZ2-((2-Amino-9H-purin-9-yl)methoxy)ethanolBWA515UBW-A515UEthanol, 2-((2-amino-9H-purin-9-yl)methoxy)-2-[(2-Amino-9H-purin-9-yl)methoxy]ethanol
Show more names
DCVDeoxyaciclovirDesciclovir, 10 mM in DMSOEthanol, 2-[(2-amino-9H-purin-9-yl)methoxy]-
2-((2-aminopurin-9-yl)methoxy)ethanolRefChem:9199202-amino-9-(2-hydroxyethyl)methyl-9H-purine2-((2-amino-9H-purin-9-yl)methoxy)-ethanol2-((2-Amino-9H-purin-9-yl)methoxy)ethan-1-olA-515U6-Deoxyacyclovir; A 515U; BW-A 515U2-[(2-Amino-9H-purin-9-yl)methoxy]ethan-1-ol
Database identifiers
- CAS
84408-37-7- PubChem CID
- 55256
- DTXSID
DTXSID80868807- ChEMBL
CHEMBL2106725- UNII
- BHM1XXA2EZ
- Nikkaji
- J22.040J
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 205
Experimental & physicochemical properties
LogP-0.96
Physicochemical properties
- Melting point
- 189 °C · 189 °C
- Boiling point
- 529.8 · 529.8±60.0 °C(Predicted)
- Density
- 1.61 · 1.61±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 42 mg/mL · DMSO: 42 mg/mL (200.76 mM);Ethanol: 3 mg/mL (14.34 mM)
- pka
- 14.27 · 14.27±0.10(Predicted)
- form
- Solid
- color
- Off-white to light yellow
- Water Solubility
- 25 mg/mL · Water: 25 mg/mL (119.50 mM)
- FDA UNII
- 1 XXA2EZ · BHM1XXA2EZ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
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
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Applications
UsesAntiviral.
Suppliers28 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
湖北海克斯生化有限公司18696113233 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
Related reactions
3 records
Compound notes
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