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Isonipecotic acid-d9

CAT: 0804-HY-Y1176S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-Y1176S-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Isonipecotic acid-d9 is the deuterium labeled Isonipecotic acid[1]. Isonipecotic acid is a GABAA receptor partial agonist[2].
CAS Number
1219798-43-2
UNSPSC
12352005
Target
GABA Receptor
Type
Isotope-Labeled Compounds
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Solubility
10 mM in DMSO
Smiles
OC(C1([2H])C([2H])([2H])C([2H])([2H])NC([2H])([2H])C1([2H])[2H])=O
Molecular Formula
C6H2D9NO2
Molecular Weight
138.21
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.|[2]Krehan D, et al. Phosphinic, phosphonic and seleninic acid bioisosteres of isonipecotic acid as novel and selective GABA (C) receptor antagonists. Neurochem Int. 2003 Jun;42 (7) :561-5. |[3]Falch E, et al. GABA-mimetic activity and effects on diazepam binding of aminosulphonic acids structurally related to piperidine-4-sulphonic acid. J Neurochem. 1985 Jan44 (1) :68-75.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

4-Piperidine-d9-carboxylic acid
CAS Number1219798-43-2
PubChem CID118116846
IUPAC Name2,2,3,3,4,5,5,6,6-nonadeuteriopiperidine-4-carboxylic acid
Molecular FormulaC6H11NO2
Molecular Weight138.21
XLogP-3
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity108
SMILES
[2H]C1(C(NC(C(C1([2H])C(=O)O)([2H])[2H])([2H])[2H])([2H])[2H])[2H]
InChI
InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)/i1D2,2D2,3D2,4D2,5D
InChIKey
SRJOCJYGOFTFLH-UHUJFCCWSA-N
Chemical Structure
2D Structure
2D structure of 4-Piperidine-d9-carboxylic acid
CAS: 1219798-43-2
CID: 118116846
Formula: C6H11NO2
MW: 138.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight138.21
XLogP3-3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass138.135469307
Monoisotopic Mass138.135469307
Topological Polar Surface Area49.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity108
Isotope Atom Count9
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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