Anagrelide
6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
Molecular Identity
Anagrelide
6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID: 135409400
Anagrelide is a 1,5-dihydroimidazo[2,1-]quinazoline having an oxo substituent at the 2-position and chloro substituents at the 6- and 7-positions. It has a role as a cardiovascular drug, an antifibrinolytic drug, an anticoagulant and a platelet aggregation inhibitor.
2D Structure
Properties
C10H7Cl2N3O
Molecular Formula
256.08
Molecular Weight
g/mol
254.9966
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
44.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
2
H-Bond Acceptors
360
Complexity
SMILES
Canonical SMILES
SMILES: C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3Isomeric SMILES
SMILES: C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3Synonyms(20)
anagrelide68475-42-3AnagrelidaAnagrelidumK9X45X0051CHEBI:142290L01XX356,7-dichloro-1H,2H,3H,5H-imidazolidino[2,1-b]quinazolin-2-one6,7-dichloro-3H,5H-imidazo(2,1-b)quinazolin-2-ol6,7-dichloro-3H,5H-imidazo[2,1-b]quinazolin-2-ol6,7-dichloro-1H,2H,3H,5H-imidazolidino(2,1-b)quinazolin-2-oneRefChem:59015DTXCID6028280DTXSID40483056,7-Dichloro-5,10-dihydroimidazo[2,1-b]quinazolin-2(3H)-one
Data from PubChem (NCBI)
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