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Abaperidone

CAT: 0926-IHA84943-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-IHA84943-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
183849-43-6
MDL Number
MFCD00951995
Smiles
C1CN (CCC1C2=NOC3=C2C=CC (=C3) F) CCCOC4=CC5=C (C=C4) C (=O) C (=CO5) CO
Molecular Formula
C25H25FN2O5
Molecular Weight
452.5 g/mol
Controlled
No

Chemical Information

Abaperidone

Abaperidone is a small molecule drug. Abaperidone has a monoisotopic molecular weight of 452.17 Da.

CAS Number183849-43-6
PubChem CID3037308
IUPAC Name7-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-(hydroxymethyl)chromen-4-one
Molecular FormulaC25H25FN2O5
Molecular Weight452.5
XLogP3.7
Topological Polar Surface Area85
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity713
SMILES
C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCOC4=CC5=C(C=C4)C(=O)C(=CO5)CO
InChI
InChI=1S/C25H25FN2O5/c26-18-2-4-20-23(12-18)33-27-24(20)16-6-9-28(10-7-16)8-1-11-31-19-3-5-21-22(13-19)32-15-17(14-29)25(21)30/h2-5,12-13,15-16,29H,1,6-11,14H2
InChIKey
ICAXEUYZCLRXKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Abaperidone
CAS: 183849-43-6
CID: 3037308
Formula: C25H25FN2O5
MW: 452.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight452.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass452.17475006
Monoisotopic Mass452.17475006
Topological Polar Surface Area85 Ų
Heavy Atom Count33
Formal Charge0
Complexity713
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
T14083-01Abaperidone
A20286-50Abaperidone 50mg
A20286-25Abaperidone 25mg
HY-101619AAbaperidone (hydrochloride)
A20286-100Abaperidone 100mg
MBS5776241Abaperidone Hydrochloride
A20286-10Abaperidone 10mg
A20286-5Abaperidone 5mg
A20286-1Abaperidone 1mg

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