Chemical Component Summary

NameN-[2-(4-aminophenyl)ethyl]adenosine
Identifiers(2~{R},3~{R},4~{S},5~{R})-2-[6-[2-(4-aminophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
FormulaC18 H22 N6 O4
Molecular Weight386.405
TypeNON-POLYMER
Isomeric SMILESc1cc(ccc1CCNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)N
InChIInChI=1S/C18H22N6O4/c19-11-3-1-10(2-4-11)5-6-20-16-13-17(22-8-21-16)24(9-23-13)18-15(27)14(26)12(7-25)28-18/h1-4,8-9,12,14-15,18,25-27H,5-7,19H2,(H,20,21,22)/t12-,14-,15-,18-/m1/s1
InChIKeyXTPOZVLRZZIEBW-SCFUHWHPSA-N

Chemical Details

Formal Charge0
Atom Count50
Chiral Atom Count4
Bond Count53
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 9952135
ChEMBL CHEMBL1256714