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Anagrelide

CAT: 0926-FA168205Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FA168205Size:2 mg
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CAS Number
68475-42-3
Smiles
C1C2=C (C=CC (=C2Cl) Cl) N=C3N1CC (=O) N3
Molecular Formula
C10H7Cl2N3O
Molecular Weight
256.09 g/mol
Controlled
No

Chemical Information

Anagrelide

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.

CAS Number68475-42-3
PubChem CID135409400
IUPAC Name6,7-dichloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.08
XLogP1.6
Topological Polar Surface Area44.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity360
SMILES
C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3
InChI
InChI=1S/C10H7Cl2N3O/c11-6-1-2-7-5(9(6)12)3-15-4-8(16)14-10(15)13-7/h1-2H,3-4H2,(H,13,14,16)
InChIKey
OTBXOEAOVRKTNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anagrelide
CAS: 68475-42-3
CID: 135409400
Formula: C10H7Cl2N3O
MW: 256.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.08
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass254.9966172
Monoisotopic Mass254.9966172
Topological Polar Surface Area44.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity360
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
317191Anagrelide
RM-A140107-01Anagrelide Trichloro Derivative; Trichloro Anagrelide
HY-B0523A-01Anagrelide (hydrochloride)
A2735-88AAnagrelide-13C3
RM-A140100-01Anagrelide Hydrochloride
bs-82141C-01Anagrelide HCl

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