Products for Research Use Only

ADR 882

CAT: 0013-GTR19200584-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200584-02Size:50 mg
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Description
ADR 882 is a selective 5-HT3 receptor antagonist with demonstrated analgesic effects. It is utilized in neuroscience research to investigate pain pathways and serotonin signaling in both in vitro binding assays and in vivo behavioral models.
CAS Number
138559-57-6
Smiles
C (N[C@@H]1C2 (CCN (C1) CC2) [H]) (=O) C3=C4C (=C (N) C (Cl) =C3) CCO4
Molecular Formula
C16H20ClN3O2
Molecular Weight
321.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Adr 882

does not produce an analgesic effect; RN given refers to the (R)-isomer

CAS Number138559-57-6
PubChem CID132164
IUPAC Name4-amino-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-5-chloro-2,3-dihydro-1-benzofuran-7-carboxamide
Molecular FormulaC16H20ClN3O2
Molecular Weight321.80
XLogP1.8
Topological Polar Surface Area67.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity441
SMILES
C1CN2CCC1[C@H](C2)NC(=O)C3=CC(=C(C4=C3OCC4)N)Cl
InChI
InChI=1S/C16H20ClN3O2/c17-12-7-11(15-10(14(12)18)3-6-22-15)16(21)19-13-8-20-4-1-9(13)2-5-20/h7,9,13H,1-6,8,18H2,(H,19,21)/t13-/m0/s1
InChIKey
RZYIIEGPJPMBOE-ZDUSSCGKSA-N
Chemical Structure
2D Structure
2D structure of Adr 882
CAS: 138559-57-6
CID: 132164
Formula: C16H20ClN3O2
MW: 321.80
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight321.80
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass321.1244046
Monoisotopic Mass321.1244046
Topological Polar Surface Area67.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity441
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes