Basic information
- Standard SMILES
Nc1ccc(CCNc2ncnc3c2ncn3C2OC(CO)C(O)C2O)cc1- InChIKey
XTPOZVLRZZIEBW-UHFFFAOYSA-N- Molecular formula
- C18H22N6O4
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.1702532
Overview
N6-2-(4-Aminophenyl)ethyladenosine is a purine nucleoside.
Names & identifiers
- Preferred name
- (125I)Apnea
- IUPAC
- 2-[6-[2-(4-aminophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Names & synonyms
[125I]APNEA(125I)ApneaRefChem:1049338N6-2-(4-Aminophenyl)ethyladenosineCHEMBL326958n6-[2-(4-aminophenyl)ethyl]adenosineAdenosine, N-[2-(4-aminophenyl)ethyl]-[3H]N6-2-(4-Aminophenyl)ethyladenosineLopac0_000118GTPL417GTPL462ChEMBL_198532
Show more names
SCHEMBL16585344SCHEMBL29464000CHEBI:180525DTXSID301372875HMS3260G18Tox21_500118BDBM50037785CCG-204213
Database identifiers
- PubChem CID
- 4397
- DTXSID
DTXSID301372875- ChEMBL
CHEMBL326958- ChEBI
CHEBI:180525
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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