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Gabapentin-[d4]

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Gabapentin-[d4]

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General Information
Catalog: BLP-007100
CAS: 1185039-20-6
Molecular Formula: C9H16D4ClNO3
Molecular Weight: 175.26

Chemical Structure

Description	Gabapentin-[d4] is the isotope labelled analog of Gabapentin, a labelled amino acid structurally related to γ-Aminobutyric Acid, designed to cross the blood brain barrier. It is used as an anticonvulsant.
Synonyms	1-(Aminomethyl)cyclohexaneacetic Acid-d4; Neurontin-d4; GOE-3450-d4; 1-(aminomethyl-d2)-cyclohexaneacetic-α,α-d2 acid
IUPAC Name	2-[1-[amino(dideuterio)methyl]cyclohexyl]-2,2-dideuterioacetic acid
Related CAS	60142-96-3 (unlabelled)
Isomeric SMILES	[2H]C([2H])(C(=O)O)C1(CCCCC1)C([2H])([2H])N
Canonical SMILES	C1CCC(CC1)(CC(=O)O)CN
InChI	InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)/i6D2,7D2
InChI Key	UGJMXCAKCUNAIE-KXGHAPEVSA-N
Melting Point	>154°C (dec.)
Purity	98% by CP; 98% atom D
Solubility	Slightly soluble in Methanol, Water
Appearance	White to Off-white Solid