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(±) -PPCC

CAT: 0931-T37012Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T37012Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
932736-90-8
Target
Others, Sigma receptor
Related Pathways
GPCR/G Protein, Others
Bioactivity
(±) -PPCC is a sigma-1 agonist that interacts with sigma-1 receptors (Ki=1.5 nM) . (±) -PPCC has anti-amnestic effects in rats with cognitive impairment and can improve cognitive abilities in rats.
Smiles
COC(=O)[C@]1(C[C@H]1CN1CCC(O)(CC1)c1ccccc1)c1ccc(C)cc1
Molecular Formula
C24H29NO3
Molecular Weight
379.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(-)-Methyl(1S,2R)-2-[(4-Hydroxy-4-phenylpiperidin-1-yl)-methyl]-1-(4-nitrophenyl)cyclopropanecarboxylate
CAS Number932736-90-8
PubChem CID46901461
IUPAC Namecis-methyl (1S,2R)-2-[(4-hydroxy-4-phenylpiperidin-1-yl)methyl]-1-(4-methylphenyl)cyclopropane-1-carboxylate
Molecular FormulaC24H29NO3
Molecular Weight379.5
XLogP3.5
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity542
SMILES
CC1=CC=C(C=C1)[C@@]2(C[C@H]2CN3CCC(CC3)(C4=CC=CC=C4)O)C(=O)OC
InChI
InChI=1S/C24H29NO3/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/h3-11,21,27H,12-17H2,1-2H3/t21-,24+/m0/s1
InChIKey
BDSYECBSUUOPCT-XUZZJYLKSA-N
Chemical Structure
2D Structure
2D structure of (-)-Methyl(1S,2R)-2-[(4-Hydroxy-4-phenylpiperidin-1-yl)-methyl]-1-(4-nitrophenyl)cyclopropanecarboxylate
CAS: 932736-90-8
CID: 46901461
Formula: C24H29NO3
MW: 379.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.5
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass379.21474379
Monoisotopic Mass379.21474379
Topological Polar Surface Area49.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity542
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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