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Gabapentin-d6 (hydrochloride)

CAT: 0804-HY-A0057ASSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-A0057ASSize:1 mg
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Description
Gabapentin-d6 (hydrochloride) is deuterium labeled Gabapentin (hydrochloride) .
CAS Number
1432061-73-8
UNSPSC
12352211
Target
Calcium Channel; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling; Others
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Solubility
10 mM in DMSO
Smiles
OC(CC1(CC([2H])([2H])C([2H])([2H])C([2H])([2H])C1)CN)=O.Cl
Molecular Formula
C9H12D6ClNO2
Molecular Weight
213.73
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Harden RN, et al. A Phase 2a, Randomized, Crossover Trial of Gabapentin Enacarbil for the Treatment of Postherpetic Neuralgia inGabapentin Inadequate Responders. Pain Med. 2013 Sep 18.|[3]Lee BS, et al. Intrathecal gabapentin increases interleukin-10 expression and inhibits pro-inflammatory cytokine in a rat model of neuropathic pain. J Korean Med Sci. 2013 Feb;28 (2) :308-14.|[4]Parker DA, et al. Gabapentin activates presynaptic GABAB heteroreceptors in rat cortical slices. Eur J Pharmacol. 2004 Jul 14;495 (2-3) :137-43.|[5]Receveur JM, et al. Synthesis and biological evaluation of conformationally restricted Gabapentin analogues. Bioorg Med Chem Lett. 1999 Aug 16;9 (16) :2329-34.|[6]Stefani A, et al. Gabapentin inhibits calcium currents in isolated rat brain neurons. Neuropharmacology. 1998;37 (1) :83-91.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Gabapentin-d6 Hydrochloride
CAS Number1432061-73-8
PubChem CID76973126
IUPAC Name2-[1-(aminomethyl)-3,3,4,4,5,5-hexadeuteriocyclohexyl]acetic acid;hydrochloride
Molecular FormulaC9H18ClNO2
Molecular Weight213.73
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity162
SMILES
[2H]C1(CC(CC(C1([2H])[2H])([2H])[2H])(CC(=O)O)CN)[2H].Cl
InChI
InChI=1S/C9H17NO2.ClH/c10-7-9(6-8(11)12)4-2-1-3-5-9;/h1-7,10H2,(H,11,12);1H/i1D2,2D2,3D2;
InChIKey
XBUDZAQEMFGLEU-LRDWTYOMSA-N
Chemical Structure
2D Structure
2D structure of Gabapentin-d6 Hydrochloride
CAS: 1432061-73-8
CID: 76973126
Formula: C9H18ClNO2
MW: 213.73
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.73
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass213.1402670
Monoisotopic Mass213.1402670
Topological Polar Surface Area63.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity162
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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