9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate)
Basic information
- CAS
26132-67-2- Standard SMILES
CS(=O)(=O)O.CS(=O)(=O)O.c1ccc(C(c2ccccc2)N2CCN(c3ncnc4nc[nH]c34)CC2)cc1- InChIKey
HIKFPJJUSMZSQN-UHFFFAOYSA-N- Molecular formula
- C24H30N6O6S2
- Average molar mass
- 562.7 g/mol
- Monoisotopic mass
- 562.16682505
Names & identifiers
- Preferred name
- 9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate)
- IUPAC
- 6-(4-benzhydrylpiperazin-1-yl)-7H-purine;methanesulfonic acid
Names & synonyms
26132-67-2(Benzhydryl-4 piperazinyl-1)-6 purine bismethanesulfonate9H-Purine, 6-(4-benzhydryl-1-piperazinyl)-, bis(methanesulfonate)6-(4-Diphenylmethyl-1-piperazinyl)-9H-purine dimethanesulfonateDTXSID10180766RefChem:313586DTXCID501032576-(4-Benzhydrylpiperazin-1-yl)-7H-purine dimethanesulfonateMethanesulfonic acid--6-[4-(diphenylmethyl)piperazin-1-yl]-7H-purine (2/1)
Database identifiers
- CAS
26132-67-2- PubChem CID
- 213315
- DTXSID
DTXSID10180766
Properties
Computed structural properties
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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