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EST73502

CAT: 1410-M28219-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M28219-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EST73502 is an agonist of μ-opioid receptor (Ki = 64 nM) agonist and an antagonist of σ1 receptor (Ki = 118 nM) . EST73502 displays antinociceptive activity.
CAS Number
2307458-82-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
388.88
Molecular Formula
C19H27ClF2N2O2
Notes
Research use only, not for human use.
Receptor
Wnt

Chemical Information

EST73502 hydrochloride
CAS Number2307458-82-6
PubChem CID153535293
IUPAC Name(2R)-9-[2-(2,5-difluorophenyl)ethyl]-4-ethyl-2-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
Molecular FormulaC19H27ClF2N2O2
Molecular Weight388.9
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity468
SMILES
CCN1CC2(CCN(CC2)CCC3=C(C=CC(=C3)F)F)O[C@@H](C1=O)C.Cl
InChI
InChI=1S/C19H26F2N2O2.ClH/c1-3-23-13-19(25-14(2)18(23)24)7-10-22(11-8-19)9-6-15-12-16(20)4-5-17(15)21;/h4-5,12,14H,3,6-11,13H2,1-2H3;1H/t14-;/m1./s1
InChIKey
WZJJIHSIBMZUIN-PFEQFJNWSA-N
Chemical Structure
2D Structure
2D structure of EST73502 hydrochloride
CAS: 2307458-82-6
CID: 153535293
Formula: C19H27ClF2N2O2
MW: 388.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass388.1729121
Monoisotopic Mass388.1729121
Topological Polar Surface Area32.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity468
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-134189EST73502
HY-134189A-01EST73502 (monohydrochloride)
BUP07514-01EST73502 HCl
T9669-01EST73502 hydrochloride

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