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A-1048400

CAT: 1410-M10826-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M10826-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A novel potent, selective, orally active N-type and T-type calcium channel blocker with IC50 of 1.4 and 1.2 uM, respectively.
CAS Number
1219624-62-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
543.711
Molecular Formula
C36H37N3O2
Notes
Research use only, not for human use.
Receptor
Calcium Channel

Chemical Information

1-(2-(4-Benzhydryl-piperazin-1-yl)-2-oxo-ethyl)-3,3-diphenyl-piperidin-2-one
CAS Number1219624-62-0
PubChem CID53386258
IUPAC Name1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one
Molecular FormulaC36H37N3O2
Molecular Weight543.7
XLogP5.9
Topological Polar Surface Area43.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity807
SMILES
C1CC(C(=O)N(C1)CC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
InChI
InChI=1S/C36H37N3O2/c40-33(37-24-26-38(27-25-37)34(29-14-5-1-6-15-29)30-16-7-2-8-17-30)28-39-23-13-22-36(35(39)41,31-18-9-3-10-19-31)32-20-11-4-12-21-32/h1-12,14-21,34H,13,22-28H2
InChIKey
ZUIDVYFPBJVTSC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-(4-Benzhydryl-piperazin-1-yl)-2-oxo-ethyl)-3,3-diphenyl-piperidin-2-one
CAS: 1219624-62-0
CID: 53386258
Formula: C36H37N3O2
MW: 543.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight543.7
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass543.28857743
Monoisotopic Mass543.28857743
Topological Polar Surface Area43.9 Ų
Heavy Atom Count41
Formal Charge0
Complexity807
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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CatalogName
T71202-01A-1048400

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