9H-Purine, 2-(4-(2-(o-methoxyphenoxy)ethyl)-1-piperazinyl)-, bis(methanesulfonate)
Basic information
- CAS
24933-04-8- Standard SMILES
COc1ccccc1OCCN1CCN(c2ncc3[nH]cnc3n2)CC1.CS(=O)(=O)O.CS(=O)(=O)O- InChIKey
VQVXPKVJRZPZKX-UHFFFAOYSA-N- Molecular formula
- C20H30N6O8S2
- Average molar mass
- 546.6 g/mol
- Monoisotopic mass
- 546.15665428
Names & identifiers
- Preferred name
- 9H-Purine, 2-(4-(2-(o-methoxyphenoxy)ethyl)-1-piperazinyl)-, bis(methanesulfonate)
- IUPAC
- methanesulfonic acid;2-[4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl]-7H-purine
Names & synonyms
24933-04-82-(4-(2-(o-Methoxyphenoxy)ethyl)-1-piperazinyl)-9H-purine dimethanesulfonate9H-Purine, 2-(4-(2-(o-methoxyphenoxy)ethyl)-1-piperazinyl)-, bis(methanesulfonate)DTXSID10179650RefChem:313563DTXCID70102141Methanesulfonic acid--2-{4-[2-(2-methoxyphenoxy)ethyl]piperazin-1-yl}-7H-purine (2/1)
Database identifiers
- CAS
24933-04-8- PubChem CID
- 212799
- DTXSID
DTXSID10179650
Properties
Computed structural properties
- Topological polar surface area
- 205 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 6
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 526
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Related reactions
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Compound notes
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