9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride
Basic information
- CAS
24932-79-4- Standard SMILES
Cl.Cl.OCCn1cnc2c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc21- InChIKey
KXGJEOPMVLTCRZ-UHFFFAOYSA-N- Molecular formula
- C19H24Cl2N6O3
- Average molar mass
- 455.3 g/mol
- Monoisotopic mass
- 454.128694
Names & identifiers
- Preferred name
- 9H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride
- IUPAC
- 2-[6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]purin-9-yl]ethanol;dihydrochloride
Names & synonyms
24932-79-49H-Purine-9-ethanol, 6-(4-piperonyl-1-piperazinyl)-, dihydrochloride(Piperonyl-4 piperazinyl-1)-6 (hydroxy-2 ethyl)-9 purine dichlorhydrate [French]DTXSID801796476-(4-(3,4-Methylenedioxybenzyl)-1-piperazinyl)-9H-purine-9-ethanol dihydrochloride(Piperonyl-4 piperazinyl-1)-6 (hydroxy-2 ethyl)-9 purine dichlorhydrateRefChem:313619DTXCID401021382-(6-(4-(Benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-9H-purin-9-yl)ethanol dihydrochloride2-(6-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-9H-purin-9-yl)ethan-1-ol dihydrochloride2-(6-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-9H-purin-9-yl)ethan-1-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
24932-79-4- PubChem CID
- 212795
- DTXSID
DTXSID80179647
Properties
Computed structural properties
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…