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Spiradoline

CAT: 1410-M16334Size: 1 EachDry Ice: NoHazardous: No
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Description
Spiradoline (U 62066) is a potent, highly selective κ-opioid agonist that has analgesic diuretic and antitussive effects.
CAS Number
87151-85-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
425.392
Molecular Formula
C22H30Cl2N2O2
Notes
Research use only, not for human use.
Receptor
Opioid Receptor

Chemical Information

Spiradoline

Spiradoline has been investigated for the basic science of Bipolar Depression.

CAS Number87151-85-7
PubChem CID55652
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
Molecular FormulaC22H30Cl2N2O2
Molecular Weight425.4
XLogP4.3
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity557
SMILES
CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3/t19-,20-,22-/m0/s1
InChIKey
NYKCGQQJNVPOLU-ONTIZHBOSA-N
Chemical Structure
2D Structure
2D structure of Spiradoline
CAS: 87151-85-7
CID: 55652
Formula: C22H30Cl2N2O2
MW: 425.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight425.4
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass424.1684336
Monoisotopic Mass424.1684336
Topological Polar Surface Area32.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity557
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