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Oxilorphan

CAT: 0013-GTR19198785-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198785-02Size:50 mg
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Description
Oxilorphan is a mixed opioid receptor ligand functioning primarily as a potent μ-opioid receptor (MOR) antagonist and a κ-opioid receptor (KOR) partial agonist. Its KOR-mediated dissociative and dysphoric effects limit therapeutic use, but it remains a valuable research tool for studying opioid receptor pharmacology and signaling in vitro and in vivo.
CAS Number
42281-59-4
Smiles
O[C@@]12[C@@]3 (C=4C (C[C@]1 (N (CC5CC5) CC3) [H]) =CC=C (O) C4) CCCC2
Molecular Formula
C20H27NO2
Molecular Weight
313.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Oxilorphan

RN given refers to cpd without isomeric designation

CAS Number42281-59-4
PubChem CID5361090
IUPAC Name(1S,9R,10S)-17-(cyclopropylmethyl)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol
Molecular FormulaC20H27NO2
Molecular Weight313.4
XLogP3.2
Topological Polar Surface Area43.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity478
SMILES
C1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CC5)C=C(C=C4)O)O
InChI
InChI=1S/C20H27NO2/c22-16-6-5-15-11-18-20(23)8-2-1-7-19(20,17(15)12-16)9-10-21(18)13-14-3-4-14/h5-6,12,14,18,22-23H,1-4,7-11,13H2/t18-,19+,20-/m1/s1
InChIKey
STBZIDOIKQNFCQ-HSALFYBXSA-N
Chemical Structure
2D Structure
2D structure of Oxilorphan
CAS: 42281-59-4
CID: 5361090
Formula: C20H27NO2
MW: 313.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.4
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass313.204179104
Monoisotopic Mass313.204179104
Topological Polar Surface Area43.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity478
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5775642Oxilorphan

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