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4-PPBP maleate

CAT: 0607-B6379-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6379-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
σ ligand and NR1a/2B NMDA receptors antagonist
CAS Number
201216-39-9
Product Name Alternative
4-phenyl-1-(4-phenylbutyl)piperidine fumarate
Field of Research
GPCR G protein Sigma Receptor
Purity
0.98
Form
White solid
Solubility
<10.24mg/ml in ethanol; <10.24mg/ml in DMSO
Smiles
OC(/C=C/C(O)=O)=O.N1(CCCCC2=CC=CC=C2)CCC(C3=CC=CC=C3)CC1
Molecular Formula
C21H27N·C4H4O4
Molecular Weight
409.52
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

4-Ppbp maleate
CAS Number201216-39-9
PubChem CID11682970
IUPAC Name(Z)-but-2-enedioic acid;4-phenyl-1-(4-phenylbutyl)piperidine
Molecular FormulaC25H31NO4
Molecular Weight409.5
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity399
SMILES
C1CN(CCC1C2=CC=CC=C2)CCCCC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C21H27N.C4H4O4/c1-3-9-19(10-4-1)11-7-8-16-22-17-14-21(15-18-22)20-12-5-2-6-13-20;5-3(6)1-2-4(7)8/h1-6,9-10,12-13,21H,7-8,11,14-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
OASPNIMFGJVLES-BTJKTKAUSA-N
Chemical Structure
2D Structure
2D structure of 4-Ppbp maleate
CAS: 201216-39-9
CID: 11682970
Formula: C25H31NO4
MW: 409.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass409.22530847
Monoisotopic Mass409.22530847
Topological Polar Surface Area77.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity399
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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