Product classification

60142-96-3

Product Name：Gabapentin hydrochloride
Molecular Formula：C₉H₁₇NO₂
Purity：99%
Molecular Weight：

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Product Details;

CasNo： 60142-96-3

Molecular Formula： C₉H₁₇NO₂

Appearance： white to off-white crystalline powder

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Fast Delivery Gabapentin hydrochloride 60142-96-3 In Medicine

Molecular Formula:C9H17NO2
Molecular Weight:171.239
Appearance/Colour:white to off-white crystalline powder
Vapor Pressure:6.32E-05mmHg at 25°C
Melting Point:162 °C
Refractive Index:1.484
Boiling Point:314.4 °C at 760 mmHg
PKA:pKa1 (25°) 3.68; pKa2 10.70
Flash Point:144 °C
PSA：63.32000
Density:1.058 g/cm³
LogP:2.07060

Gabapentin hydrochloride 60142-96-3 In Medicine Usage

The chemical formula of Gabapentin hydrochloride is C9H17NO2 which containing 9 Carbon atoms,17 Hydrogen atoms,1 Nitrogen atoms and 2 Oxygen atoms,and the molecular weight of Gabapentin hydrochloride is 171.239. Gabapentin is a second- generation antiepileptic drug (AED) known under the proprietary brand name of Neurontin (Pfizer, New York, NY) in the UK and USA. Gabapentin hydrochloride hemihydrate, a derivative of Gabapentin [or 1-(aminomethyl) cyclohexaneacetic acid; Gpn, C₆H₁₇NO₂], is a salt of C₉H₁₈NO₂ ⁺ Cl⁻ 0.5 H₂O, which crystallizes in the monoclinic space group I 2/a with unit cell parameters a = 13.2467(3), b = 6.5552(2), c = 26.0094(8) Å, β = 96.561(3)°, Z = 8. Gabapentin (GBP) is an FDA-approved drug for the treatment of partial and secondary generalized seizures, apart from being used for diabetic neuropathic pain. Although gabapentin has no approved indications in psychiatry, it has shown efficacy in the treatment of anxiety disorders, especially social phobia.

InChI:InChI=1/C9H17NO2/c10-6-8-4-2-1-3-7(8)5-9(11)12/h7-8H,1-6,10H2,(H,11,12)

60142-96-3 Relevant articles

Crystal Structure of a Second Polymorph of Gabapentin Hydrochloride Hemihydrate with a Three-Center Bifurcated Hydrogen Bond

Jerry P. Jasinski, Ray J. Butcher, H. S. Yathirajan, L. Mallesha, K. N. Mohana & B. Narayana

Journal of Chemical Crystallography volume 39, pages777–780 (2009)

Crystal structure of a second polymorph of gabapentin hydrochloride hemihydrate is reported and its geometric and packing parameters described and compared to the first polymorph and to a MOPAC computational calculation.

In-silico validation and fabrication of matrix diffusion-based polymeric transdermal patches for repurposing gabapentin hydrochloride in neuropathic pain

Singh, Manisha; Agarwal, Shriya; Pancham, Pranav; Agarwal, Vinayak; Kaur, Harleen; Kaur, Ramneek

CNS & Neurological Disorders - Drug Targets (Formerly Current Drug Targets - CNS & Neurological Disorders), Volume 20, Number 6, 2021, pp. 556-570(15)

In this study, we have repurposed Gabapentin to treat diabetic neuropathy and validated the same by conducting a detailed in silico evaluation starting from homology Modelling of the target protein hBCATc, cross verified by the Ramachandran plot analysis with the most favoured region of 92.1% (encompassing 303 residues out of 386).

Process for the preparation of gabapentin

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Page/Page column 7, (2019/09/17)

The present invention relates to an improved process for the preparation of Gabapentin. The process also relates to a new process for the preparation of 1, 1-cyclohexane diaceitic acid monoamide (CDMA), which is a key intermediate for the preparation of Gabapentin.

60142-96-3 Process route

: 133481-09-1
(1-cyanocyclohexyl)-acetic acid

: 60142-96-3
H-Gpn-OH

Conditions

Conditions	Yield
With hydrogen; rhodium monocarbide; In methanol; isopropyl alcohol;


With sodium hydroxide; hydrogen; nickel; In methanol; water; at 20 - 25 ℃; for 21h; under 10069 Torr;
Multi-step reaction with 3 steps 1: hydrogen; chromium-promoted Raney-nickel / water / 9 h / 110 °C / 15757.7 Torr / Autoclave 2: hydrogenchloride; water / 4 h / Reflux 3: sodium carbonate / water; toluene / 0.5 h / pH 7.5 With hydrogenchloride; chromium-promoted Raney-nickel; water; hydrogen; sodium carbonate; In water; toluene;

: (1-cyanocyclohexyl)acetic acid ammonium salt

: 60142-96-3
H-Gpn-OH