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Flumeridone

CAT: 0013-GTR19242247-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242247-01Size:10 mg
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Description
Flumeridone is a small molecule antiemetic agent used in research to study nausea and vomiting mechanisms. It is applied in both in vitro receptor binding assays and in vivo animal models for preclinical pharmacological investigation.
CAS Number
75444-64-3
Smiles
O=C1NC2=CC (F) =CC=C2N1CCCN3CCC (N4C (=O) NC5=CC (Cl) =CC=C54) CC3
Molecular Formula
C22H23ClFN5O2
Molecular Weight
443.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Flumeridone

Flumeridone is a small molecule drug. Flumeridone has a monoisotopic molecular weight of 443.15 Da.

CAS Number75444-64-3
PubChem CID71758
IUPAC Name3-[3-[4-(5-chloro-2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-6-fluoro-1H-benzimidazol-2-one
Molecular FormulaC22H23ClFN5O2
Molecular Weight443.9
XLogP4
Topological Polar Surface Area67.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity691
SMILES
C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=C(C=C(C=C5)F)NC4=O
InChI
InChI=1S/C22H23ClFN5O2/c23-14-2-4-20-17(12-14)26-22(31)29(20)16-6-10-27(11-7-16)8-1-9-28-19-5-3-15(24)13-18(19)25-21(28)30/h2-5,12-13,16H,1,6-11H2,(H,25,30)(H,26,31)
InChIKey
CNBMQDMRPDUMDK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flumeridone
CAS: 75444-64-3
CID: 71758
Formula: C22H23ClFN5O2
MW: 443.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.9
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass443.1524308
Monoisotopic Mass443.1524308
Topological Polar Surface Area67.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity691
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

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