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SM 21

CAT: 0013-GTR19196470-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196470-01Size:25 mg
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Description
SM 21 is a selective sigma-2 receptor antagonist. This small molecule tool compound is utilized in neuroscience and oncology research to investigate receptor function and cellular pathways in both in vitro and in vivo experimental models.
CAS Number
155058-71-2
Smiles
CN1[C@]2 (C[C@H] (OC (C (OC3=CC=C (Cl) C=C3) CC) =O) C[C@@]1 (CC2) [H]) [H]
Molecular Formula
C18H24ClNO3
Molecular Weight
337.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SM 21

2-(4-chlorophenoxy)butanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester is a monocarboxylic acid.

CAS Number155058-71-2
PubChem CID4679312
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenoxy)butanoate
Molecular FormulaC18H24ClNO3
Molecular Weight337.8
XLogP4.6
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity397
SMILES
CCC(C(=O)OC1CC2CCC(C1)N2C)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H24ClNO3/c1-3-17(22-15-8-4-12(19)5-9-15)18(21)23-16-10-13-6-7-14(11-16)20(13)2/h4-5,8-9,13-14,16-17H,3,6-7,10-11H2,1-2H3
InChIKey
WTPAXDRULIZRDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SM 21
CAS: 155058-71-2
CID: 4679312
Formula: C18H24ClNO3
MW: 337.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.8
XLogP34.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass337.1444713
Monoisotopic Mass337.1444713
Topological Polar Surface Area38.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity397
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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