Molecular Identity
Allantoin
(2,5-dioxoimidazolidin-4-yl)urea
PubChem CID: 204
Allantoin is an imidazolidine-2,4-dione that is 5-aminohydantoin in which a carbamoyl group is attached to the exocyclic nitrogen. It has a role as a vulnerary, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a human metabolite. It is an imidazolidine-2,4-dione and a member of ureas. It is functionally related to a hydantoin. It is a tautomer of a 1-(5-hydroxy-2-oxo-2,3-dihydroimidazol-4-yl)urea.
2D Structure
Properties
C4H6N4O3
Molecular Formula
158.12
Molecular Weight
g/mol
158.0440
Exact Mass
Da
-2.2
XLogP
Drug-like (Lipinski: < 5)
113
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
3
H-Bond Acceptors
225
Complexity
SMILES
Canonical SMILES
SMILES: C1(C(=O)NC(=O)N1)NC(=O)NIsomeric SMILES
SMILES: C1(C(=O)NC(=O)N1)NC(=O)NSynonyms(20)
allantoin97-59-65-UreidohydantoinGlyoxyldiureideCordianineGlyoxyldiureidAllantolSebicalAlantanAVC/DienestrolcreamPsoralonSeptalanUrea, (2,5-dioxo-4-imidazolidinyl)-(2,5-Dioxo-4-imidazolidinyl)urea(2,5-dioxoimidazolidin-4-yl)urea
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Allantoin
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