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(±) -PPCC oxalate

CAT: 0013-GTR19235799-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235799-02Size:50 mg
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Description
(±) -PPCC oxalate is a potent and selective sigma-1 receptor agonist (K i = 1.5 nM) . It has demonstrated significant anti-amnesic effects in rodent models of cognitive impairment, making it a valuable research tool for studying sigma-1 function in neuropsychiatric disorders.
CAS Number
1781628-91-8
Field of Research
Pharmacology & Drug Discovery
Smiles
C (C (O) =O) (O) =O.C (OC) (=O) [C@@]1 ([C@H] (CN2CCC (O) (CC2) C3=CC=CC=C3) C1) C4=CC=C (C) C=C4
Molecular Formula
C26H31NO7
Molecular Weight
469.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(RS)-PPCC oxalate
CAS Number1781628-91-8
PubChem CID46901463
IUPAC Namecis-methyl (1S,2R)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxylate;oxalic acid
Molecular FormulaC26H31NO7
Molecular Weight469.5
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity614
SMILES
CC1=CC=C(C=C1)[C@@]2(C[C@H]2CN3CCC(CC3)(C4=CC=CC=C4)O)C(=O)OC.C(=O)(C(=O)O)O
InChI
InChI=1S/C24H29NO3.C2H2O4/c1-18-8-10-20(11-9-18)24(22(26)28-2)16-21(24)17-25-14-12-23(27,13-15-25)19-6-4-3-5-7-19;3-1(4)2(5)6/h3-11,21,27H,12-17H2,1-2H3;(H,3,4)(H,5,6)/t21-,24+;/m0./s1
InChIKey
PEFYUSZBWILOFC-NXCGSPNESA-N
Chemical Structure
2D Structure
2D structure of (RS)-PPCC oxalate
CAS: 1781628-91-8
CID: 46901463
Formula: C26H31NO7
MW: 469.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass469.21005233
Monoisotopic Mass469.21005233
Topological Polar Surface Area124 Ų
Heavy Atom Count34
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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