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Enadoline

CAT: 1596-AR-E09793-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-E09793-06Size:250 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124378-77-4
Molecular Formula
C24H32N2O3
Molecular Weight
396.53
API Name
Enadoline

Chemical Information

Enadoline

kappa-opioid receptor agonist; RN given refers to cpd without isomeric designation; PD 129290 (CAM 570; CI 977) is the S,S(-)-enantiomer; PD 129289 (CAM 569) is the corresponding R,R(+)-enantiomer

CAS Number124378-77-4
PubChem CID60768
IUPAC Name2-(1-benzofuran-4-yl)-N-methyl-N-[(5R,7S,8S)-7-pyrrolidin-1-yl-1-oxaspiro[4.5]decan-8-yl]acetamide
Molecular FormulaC24H32N2O3
Molecular Weight396.5
XLogP3.4
Topological Polar Surface Area45.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity593
SMILES
CN([C@H]1CC[C@@]2(CCCO2)C[C@@H]1N3CCCC3)C(=O)CC4=C5C=COC5=CC=C4
InChI
InChI=1S/C24H32N2O3/c1-25(23(27)16-18-6-4-7-22-19(18)9-15-28-22)20-8-11-24(10-5-14-29-24)17-21(20)26-12-2-3-13-26/h4,6-7,9,15,20-21H,2-3,5,8,10-14,16-17H2,1H3/t20-,21-,24-/m0/s1
InChIKey
JMBYBVLCYODBJQ-HFMPRLQTSA-N
Chemical Structure
2D Structure
2D structure of Enadoline
CAS: 124378-77-4
CID: 60768
Formula: C24H32N2O3
MW: 396.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.5
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass396.24129289
Monoisotopic Mass396.24129289
Topological Polar Surface Area45.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity593
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
HY-105235Enadoline
T31621-01Enadoline hydrochloride
HY-105236(Rac) -Enadoline
HY-105235AEnadoline (hydrochloride)
MBS5814029Enadoline (Free Base)

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