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FLA-797

CAT: 0013-GTR19211375-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211375-01Size:25 mg
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Description
FLA-797
CAS Number
84226-14-2
Field of Research
Metabolism Research
Smiles
C (NC[C@H]1N (CC) CCC1) (=O) C2=C (OC) C=CC (Br) =C2O
Molecular Formula
C15H21BrN2O3
Molecular Weight
357.24
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Fla 797

dopamine D2 receptor antagonist; metabolite of remoxipride; RN given refers to (-)-isomer

CAS Number84226-14-2
PubChem CID10247728
IUPAC Name3-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-6-methoxybenzamide
Molecular FormulaC15H21BrN2O3
Molecular Weight357.24
XLogP2.3
Topological Polar Surface Area61.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity356
SMILES
CCN1CCCC1CNC(=O)C2=C(C=CC(=C2O)Br)OC
InChI
InChI=1S/C15H21BrN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)
InChIKey
PWEZBNRZEHPIIQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fla 797
CAS: 84226-14-2
CID: 10247728
Formula: C15H21BrN2O3
MW: 357.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.24
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass356.07356
Monoisotopic Mass356.07356
Topological Polar Surface Area61.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity356
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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