9H-Purin-6-amine, 9-beta-D-arabinofuranosyl-, hydrate (1:1)
Basic information
- CAS
24356-66-9- Standard SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O.O- InChIKey
ZTHWFVSEMLMLKT-CAMOTBBTSA-N- Molecular formula
- C10H15N5O5
- Average molar mass
- 285.26 g/mol
- Monoisotopic mass
- 285.1073186
Overview
Vidarabine monohydrate is an adenine arabinoside.
Names & identifiers
- Preferred name
- 9H-Purin-6-amine, 9-beta-D-arabinofuranosyl-, hydrate (1:1)
- IUPAC
- (2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate
- English name
- VIDARABINE (200 MG)G-2939UG/MG(AI)
- Molecular formula
- C10H15N5O5
- Molecular weight
- 285.2566
Names & synonyms
9H-Purin-6-amine, 9-beta-D-arabinofuranosyl-, hydrate (1:1)RefChem:549972Vidarabine monohydrate24356-66-9MFCD00150980Vidarabine (monohydrate)(2R,3S,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrateVidarabine (USAN)VIDARABINE G-2939UG/MG(AI)VIDARABINE [USAN](2R,3S,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol hydrateVIDARABINE [JAN]
Show more names
Vira-A monohydrateVidarabine (200 mg)Vidarabine 1-hydrateVidarabine monohydrate uspSpongoadenosine monohydrateVIDARABINE (200 MG)G-2939UG/MG(AI)9-SS-D-ARABINOFURANOSYLADENINE HYDRATE9-(b-D-Arabinofuranosyl)adeninemonohydrate9-beta-d-arabinofuranosyl-adeninmonohydrate
Adenine arabinofuranoside hydrateDRG-0058UNII-FA2DM6879KVidarabineH2OVidarabine H2OAdenine, 9-beta-D-arabinofuranosyl-, monohydrateVidarabine [USAN:USP:INN:BAN:JAN]9H-Purin-6-amine, 9-beta-D-arabinofuranosyl-, monohydrate
Properties
Computed structural properties
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Melting point
- 253 °C · 253 °C
- Boiling point
- 427.69 °C · 427.69°C (rough estimate)
- Density
- 1.3439 · 1.3439 (rough estimate)
- refractive index
- -3 ° · -3.0 ° (C=1, DMF)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- soluble in Dimethylformamide
- form
- powder to crystal
- color
- White to Almost white
- Water Solubility
- 513.5 mg/L · 513.5mg/L(temperature not stated)
- Merck
- 14 · 14,9976
- InChI
- 1S/C10H13N5O4.H2O/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);1H2/t4-,6-,7+,10-;/m1./s1
- InChIKey
- ZTHWFVSEMLMLKT-CAMOTBBTSA-N
- SMILES
- NC1=NC=NC2=C1N=CN2[C@@H]3O[C@@H]([C@H]([C@@H]3O)O)CO.O
- FDA UNII
- 2 DM6879K · FA2DM6879K
- UNSPSC Code
- 12352200 · 12352200
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H361 (50%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Other Safety InformationIMAP assessments - 9H-Purin-6-amine, 9-.beta.-D-arabinofuranosyl-, monohydrate: Environment tier I assessment
Hazard Classes and CategoriesRepr. 2 (50%)
Safety data
- wgk
- WGK 3
- rtecs
- AU6200000
- hs_code
- 29349990
- risk_code
- 62
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- safety_code
- 45-53-36/37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H361
- Hazard Classifications
- Repr. 2
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Applications
UsesAntiviral.
Additional notes
DefinitionA biologically active pharmaceu- tical product having both antitumor and antiviral properties. It was originally prepared (1959) by chemical synthesis at Stanford Research Institute, and later isolated from a fermentation beer of Strep- tomyces antibioticus.
Related reactions
1 records
Compound notes
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