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(Iso) -Atagabalin HCl

CAT: 1410-M34511-01Size: 1 EachDry Ice: NoHazardous: No
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Description
(Iso) -Atagabalin HCl (isomer-Atagabalin HCl) is an alpha -2- delta ligand that can be used to treat non-restorative sleep.
CAS Number
223445-68-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
221.72
Molecular Formula
C10H20ClNO2
Notes
Research use only, not for human use.
Receptor
Others

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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