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O-2545 hydrochloride

CAT: 0013-GTR19232826-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232826-01Size:500 µg
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Description
O-2545 is a potent, water-soluble agonist for both CB1 (Ki=1.5 nM) and CB2 (Ki=0.32 nM) receptors. Its solubility in saline facilitates in vivo studies, demonstrating high efficacy in mouse models via intravenous or intracerebroventricular administration for cannabinoid system research.
CAS Number
874745-43-4
Field of Research
Pharmacology & Drug Discovery
Smiles
OC1=C2[C@]3 ([C@] (C (C) (C) OC2=CC (C (CCCCN4C=CN=C4) (C) C) =C1) (CC=C (C) C3) [H]) [H].Cl
Molecular Formula
C26H36N2O2?HCl
Molecular Weight
445
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

O-2545 hydrochloride
CAS Number874745-43-4
PubChem CID24848973
IUPAC Name(6aR,10aR)-3-(6-imidazol-1-yl-2-methylhexan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol;hydrochloride
Molecular FormulaC26H37ClN2O2
Molecular Weight445.0
Topological Polar Surface Area47.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity629
SMILES
CC1=CC[C@@H]2[C@@H](C1)C3=C(C=C(C=C3OC2(C)C)C(C)(C)CCCCN4C=CN=C4)O.Cl
InChI
InChI=1S/C26H36N2O2.ClH/c1-18-8-9-21-20(14-18)24-22(29)15-19(16-23(24)30-26(21,4)5)25(2,3)10-6-7-12-28-13-11-27-17-28;/h8,11,13,15-17,20-21,29H,6-7,9-10,12,14H2,1-5H3;1H/t20-,21-;/m1./s1
InChIKey
LSHUCXYFAOTXLT-MUCZFFFMSA-N
Chemical Structure
2D Structure
2D structure of O-2545 hydrochloride
CAS: 874745-43-4
CID: 24848973
Formula: C26H37ClN2O2
MW: 445.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass444.2543561
Monoisotopic Mass444.2543561
Topological Polar Surface Area47.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity629
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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