MetaADEDB 2.0 @ LMMD
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine
(FIQGIOAELHTLHM-UHFFFAOYSA-N)
Structure
SMILES
CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)OCC(=O)NCCN
Molecular Formula:
C21H28N6O4
Molecular Weight:
428.485
Log P:
1.9182
Hydrogen Bond Acceptor:
9
Hydrogen Bond Donor:
3
TPSA:
137.03
CAS Number(s):
96865-92-8
Synonym(s)
1.
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine
2.
8-(4-(((2-(4-aminophenylacetylamino)ethyl)carbonyl)methyl)oxy)phenyl-1,3-dipropylxanthine
3.
8-(4-((2-aminoethyl)aminocarbonylmethyloxy)phenyl)-1,3-dipropylxanthine, 3H-labeled
4.
PAPAXAC
5.
xanthine amine congener XAC
External Link(s)
MeSHC051869
PubChem Compound5697
BindingDB50207816
CHEMBLCHEMBL273094
IUPHAR/BPS Guide to PHARMACOLOGY404
432
Therapeutic Target DatabaseD09HUM
D0H9BP
ZINC9210767
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Seizures2779359CTD
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