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RLH 033

CAT: 0013-GTR19198615-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198615-03Size:100 mg
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Description
RLH 033 is a selective sigma-1 receptor ligand used in research. It is a valuable tool for investigating sigma-1 receptor function in both in vitro binding assays and in vivo models of neurological disorders, including neuropathic pain and neurodegenerative diseases.
CAS Number
157097-10-4
Field of Research
Neuroscience
Smiles
Cl.O=C (OCCN1CCC (C=2C=CC=CC2) CC1) C3 (C4=CC=C (C=C4) N (=O) =O) CCCC3
Molecular Formula
C25H31ClN2O4
Molecular Weight
458.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Rlh 033

structure given in first source

CAS Number157097-10-4
PubChem CID190867
IUPAC Name2-(4-phenylpiperidin-1-yl)ethyl 1-(4-nitrophenyl)cyclopentane-1-carboxylate;hydrochloride
Molecular FormulaC25H31ClN2O4
Molecular Weight459.0
Topological Polar Surface Area75.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity591
SMILES
C1CCC(C1)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCCN3CCC(CC3)C4=CC=CC=C4.Cl
InChI
InChI=1S/C25H30N2O4.ClH/c28-24(25(14-4-5-15-25)22-8-10-23(11-9-22)27(29)30)31-19-18-26-16-12-21(13-17-26)20-6-2-1-3-7-20;/h1-3,6-11,21H,4-5,12-19H2;1H
InChIKey
RQQAHFSSIAWEPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Rlh 033
CAS: 157097-10-4
CID: 190867
Formula: C25H31ClN2O4
MW: 459.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.0
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass458.1972352
Monoisotopic Mass458.1972352
Topological Polar Surface Area75.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity591
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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