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Oxicodegol HCl

CAT: 0013-GTR19208160-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208160-02Size:50 mg
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Description
Oxicodegol HCl is a selective mu-opioid receptor agonist employed in research on chronic pain mechanisms. Its application extends to in vitro receptor binding assays and in vivo models for studying analgesia and opioid pharmacology related to moderate-to-severe pain conditions.
CAS Number
1211231-53-6
Smiles
Cl.[H][C@@]12Oc3c4c (C[C@@]5 ([H]) N (C) CC[C@@]14[C@@]5 (O) CC[C@@H]2OCCOCCOCCOCCOCCOCCOC) ccc3OC
Molecular Formula
C31H50ClNO10
Molecular Weight
632.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Oxicodegol hydrochloride
CAS Number1211231-53-6
PubChem CID135390988
IUPAC Name(4R,4aS,7S,7aR,12bS)-9-methoxy-7-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol;hydrochloride
Molecular FormulaC31H50ClNO10
Molecular Weight632.2
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Heavy Atom Count43
Formal Charge0
Complexity808
SMILES
CN1CC[C@]23[C@@H]4[C@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O)OCCOCCOCCOCCOCCOCCOC.Cl
InChI
InChI=1S/C31H49NO10.ClH/c1-32-9-8-30-27-23-4-5-24(35-3)28(27)42-29(30)25(6-7-31(30,33)26(32)22-23)41-21-20-40-19-18-39-17-16-38-15-14-37-13-12-36-11-10-34-2;/h4-5,25-26,29,33H,6-22H2,1-3H3;1H/t25-,26+,29-,30-,31+;/m0./s1
InChIKey
CLBKKYRJPBVTAF-SZBRMOEGSA-N
Chemical Structure
2D Structure
2D structure of Oxicodegol hydrochloride
CAS: 1211231-53-6
CID: 135390988
Formula: C31H50ClNO10
MW: 632.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight632.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count20
Exact Mass631.3123245
Monoisotopic Mass631.3123245
Topological Polar Surface Area107 Ų
Heavy Atom Count43
Formal Charge0
Complexity808
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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