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Befiperide HCl

CAT: 0931-T69597-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T69597-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2518226-56-5
Target
Others
Related Pathways
Others
Bioactivity
Befiperide, also known as DU-29325, is a substituted piperazine that has agonist activity at serotonin1 receptors.
Smiles
C(CN(C(=O)C1=CC=C(C(C)C)C=C1)C)N2CCN(C3=C4C(=CC=C3)C=CO4)CC2.Cl
Molecular Formula
C25H32ClN3O2
Molecular Weight
441.99
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzamide, N-(2-(4-(7-benzofuranyl)-1-piperazinyl)ethyl)-N-methyl-4-(1-methylethyl)-, hydrochloride
CAS Number2518226-56-5
PubChem CID182858
IUPAC NameN-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-N-methyl-4-propan-2-ylbenzamide;hydrochloride
Molecular FormulaC25H32ClN3O2
Molecular Weight442.0
Topological Polar Surface Area39.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity553
SMILES
CC(C)C1=CC=C(C=C1)C(=O)N(C)CCN2CCN(CC2)C3=CC=CC4=C3OC=C4.Cl
InChI
InChI=1S/C25H31N3O2.ClH/c1-19(2)20-7-9-22(10-8-20)25(29)26(3)12-13-27-14-16-28(17-15-27)23-6-4-5-21-11-18-30-24(21)23;/h4-11,18-19H,12-17H2,1-3H3;1H
InChIKey
TWDVAXNTFVJRAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzamide, N-(2-(4-(7-benzofuranyl)-1-piperazinyl)ethyl)-N-methyl-4-(1-methylethyl)-, hydrochloride
CAS: 2518226-56-5
CID: 182858
Formula: C25H32ClN3O2
MW: 442.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass441.2183050
Monoisotopic Mass441.2183050
Topological Polar Surface Area39.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity553
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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