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Proxorphan

CAT: 0931-T202898-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T202898-02Size:50 mg
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CAS Number
69815-38-9
Bioactivity
Proxorphan is an N-substituted 6-oxamorphinane compound. It primarily acts as a partial agonist of the κ-opioid receptor and, to a lesser extent, as a partial agonist of the μ-opioid receptor.
Smiles
C(N1[C@]2([C@]3([C@](C=4C(C2)=CC=C(O)C4)(CC1)COCC3)[H])[H])C5CC5
Molecular Formula
C19H25NO2
Molecular Weight
299.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Proxorphan

Proxorphan is a small molecule drug. Proxorphan has a monoisotopic molecular weight of 299.19 Da.

CAS Number69815-38-9
PubChem CID5361874
IUPAC Name(1S,9R,10R)-17-(cyclopropylmethyl)-13-oxa-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Molecular FormulaC19H25NO2
Molecular Weight299.4
XLogP2.9
Topological Polar Surface Area32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity437
SMILES
C1COC[C@@]23[C@@H]1[C@@H](CC4=C2C=C(C=C4)O)N(CC3)CC5CC5
InChI
InChI=1S/C19H25NO2/c21-15-4-3-14-9-18-16-5-8-22-12-19(16,17(14)10-15)6-7-20(18)11-13-1-2-13/h3-4,10,13,16,18,21H,1-2,5-9,11-12H2/t16-,18+,19-/m0/s1
InChIKey
USEITRSTDJBLBU-UHOSZYNNSA-N
Chemical Structure
2D Structure
2D structure of Proxorphan
CAS: 69815-38-9
CID: 5361874
Formula: C19H25NO2
MW: 299.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight299.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass299.188529040
Monoisotopic Mass299.188529040
Topological Polar Surface Area32.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity437
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

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