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3-Hydroxy anagrelide

CAT: 1596-AR-A02158-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-A02158-04Size:100 Units
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CAS Number
733043-41-9
Synonyms
6,7-dichloro-3-hydroxy-5,10-dihydroimidazo[2,1-b]quinazolin-2 (3H) -one; BCH 24426
Molecular Formula
C10H7Cl2N3O2
Molecular Weight
272.09
API Name
Anagrelide

Chemical Information

6,7-Dichloro-3-hydroxy-1,5 dihydro-imidazo(2,1-b)quinazolin-2-one

6,7-Dichloro-3-hydroxy-1,5 dihydro-imidazo[2,1-b]quinazolin-2-one is a member of quinazolines.

CAS Number733043-41-9
PubChem CID135424310
IUPAC Name6,7-dichloro-3-hydroxy-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.08
XLogP1
Topological Polar Surface Area64.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count17
Formal Charge0
Complexity390
SMILES
C1C2=C(C=CC(=C2Cl)Cl)N=C3N1C(C(=O)N3)O
InChI
InChI=1S/C10H7Cl2N3O2/c11-5-1-2-6-4(7(5)12)3-15-9(17)8(16)14-10(15)13-6/h1-2,9,17H,3H2,(H,13,14,16)
InChIKey
KAXTUTDKZVOONF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-Dichloro-3-hydroxy-1,5 dihydro-imidazo(2,1-b)quinazolin-2-one
CAS: 733043-41-9
CID: 135424310
Formula: C10H7Cl2N3O2
MW: 272.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.08
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass270.9915319
Monoisotopic Mass270.9915319
Topological Polar Surface Area64.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity390
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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