9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate)
Basic information
- CAS
26132-68-3- Standard SMILES
CS(=O)(=O)O.CS(=O)(=O)O.Cn1cnc2cnc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc21- InChIKey
RYXHLHJIEPGQMZ-UHFFFAOYSA-N- Molecular formula
- C20H28N6O8S2
- Average molar mass
- 544.6 g/mol
- Monoisotopic mass
- 544.14100422
Names & identifiers
- Preferred name
- 9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate)
- IUPAC
- 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-9-methylpurine;methanesulfonic acid
Names & synonyms
26132-68-39-Methyl-2-(4-piperonyl-1-piperazinyl)-9H-purine dimethanesulfonate9H-Purine, 9-methyl-2-(4-piperonyl-1-piperazinyl)-, bis(methanesulfonate)DTXSID70180767RefChem:313606DTXCID10103258Methanesulfonic acid--2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-9-methyl-9H-purine (2/1)
Database identifiers
- CAS
26132-68-3- PubChem CID
- 213317
- DTXSID
DTXSID70180767
Properties
Computed structural properties
- Topological polar surface area
- 194 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 3
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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