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LY2624803

CAT: 1410-M16382-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M16382-02Size:5 mg
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Description
LY2624803 is a novel potent histamine H1 and 5HT-2A receptor modulator in the pipeline for treating insomnia.
CAS Number
879409-35-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
379.46
Molecular Formula
C22H25N3O3
Notes
Research use only, not for human use.
Receptor
Histamine Receptor

Chemical Information

1-Piperazinepropanoic acid, 4-dibenz(b,f)(1,4)oxazepin-11-yl-alpha,alpha-dimethyl-

LY-2624803 is under investigation in clinical trial NCT01236105 (Effect of Activated Charcoal and Time of Dose on the Pharmacokinetics of LY2624803 in Healthy Subject).

CAS Number879409-35-5
PubChem CID11567064
IUPAC Name3-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2,2-dimethylpropanoic acid
Molecular FormulaC22H25N3O3
Molecular Weight379.5
XLogP0.6
Topological Polar Surface Area65.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity598
SMILES
CC(C)(CN1CCN(CC1)C2=NC3=CC=CC=C3OC4=CC=CC=C42)C(=O)O
InChI
InChI=1S/C22H25N3O3/c1-22(2,21(26)27)15-24-11-13-25(14-12-24)20-16-7-3-5-9-18(16)28-19-10-6-4-8-17(19)23-20/h3-10H,11-15H2,1-2H3,(H,26,27)
InChIKey
UEFWDVMEDFCHGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Piperazinepropanoic acid, 4-dibenz(b,f)(1,4)oxazepin-11-yl-alpha,alpha-dimethyl-
CAS: 879409-35-5
CID: 11567064
Formula: C22H25N3O3
MW: 379.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.5
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass379.18959167
Monoisotopic Mass379.18959167
Topological Polar Surface Area65.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity598
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
HY-123829LY2624803

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