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(Iso) -Atagabalin HCl

CAT: 0013-GTR19219689-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19219689-01Size:1 mg
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Description
(Iso) -Atagabalin HCl is a stereoisomer of the α2δ ligand Atagabalin. This compound is utilized in neuroscience research, particularly for investigating mechanisms related to sleep regulation. Studies involving in vivo models explore its potential application for conditions like non-restorative sleep.
CAS Number
223445-68-9
Product Name Alternative
(Iso) -Atagabalin HCl ((Iso) -223445-75-8), isomer-Atagabalin HCl (223445-75-8 Free base)
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.26% (May vary between batches)
Smiles
C (C (O) =O) [C@]1 (CN) C[C@@H] (C) [C@H] (C) C1.Cl
Molecular Formula
C10H20ClNO2
Molecular Weight
221.72
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(Iso)-Atagabalin HCl
CAS Number223445-68-9
PubChem CID69532573
IUPAC Name2-[(3R,4R)-1-(aminomethyl)-3,4-dimethylcyclopentyl]acetic acid;hydrochloride
Molecular FormulaC10H20ClNO2
Molecular Weight221.72
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity193
SMILES
C[C@@H]1CC(C[C@H]1C)(CC(=O)O)CN.Cl
InChI
InChI=1S/C10H19NO2.ClH/c1-7-3-10(6-11,4-8(7)2)5-9(12)13;/h7-8H,3-6,11H2,1-2H3,(H,12,13);1H/t7-,8-;/m1./s1
InChIKey
MJEPQHYIBKJJGY-SCLLHFNJSA-N
Chemical Structure
2D Structure
2D structure of (Iso)-Atagabalin HCl
CAS: 223445-68-9
CID: 69532573
Formula: C10H20ClNO2
MW: 221.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight221.72
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass221.1182566
Monoisotopic Mass221.1182566
Topological Polar Surface Area63.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity193
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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