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Gabapentin chemical structure, C9H17NO2, CAS 60142-96-3
2D chemical structure

Key facts

What buyers check first

Appearance
White to off-white crystalline solid, crystals from ethanol/ether
Melting point
162 to 166
Solubility
In water, 4.49 ร— 10โบยณ mg/L at 25 ยฐC
HS code
292249
Category
Analgesics and anti-inflammatories
Illustrative photo, colourless crystals in a clear glass bottle on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Gabapentin?

Plain description, key identifiers and synonyms

Gabapentin is a gamma-amino acid that is cyclohexane substituted at position 1 by aminomethyl and carboxymethyl groups. Used for treatment of neuropathic pain and restless legs syndrome. It has a role as an anticonvulsant, a xenobiotic, a calcium channel blocker and an environmental contaminant. It is functionally related to a gamma-aminobutyric acid.

Gabapentin is an anticonvulsant medication for seizures and pain.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[1-(aminomethyl)cyclohexyl]acetic acid
CAS number
60142-96-3 CAS number cross-checked
EC number
262-076-3
Molecular formula
C9H17NO2
UNII
6CW7F3G59X
MDL number
MFCD00865286
InChIKey
UGJMXCAKCUNAIE-UHFFFAOYSA-N
InChI
InChI=1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12)
SMILES (canonical and isomeric)
C1CCC(CC1)(CC(=O)O)CN

Synonyms

  • Neurontin
  • 1-(Aminomethyl)cyclohexaneacetic acid
  • Gabapentine
  • 2-[1-(aminomethyl)cyclohexyl]acetic acid
  • Aclonium
  • Gabapetin
  • Gabapentinum
  • gabapentina
  • Gabapentino
  • Gralise
  • Cyclohexaneacetic acid, 1-(aminomethyl)-
  • Goe-3450
  • Fanatrex
  • 2-(1-(aminomethyl)cyclohexyl)acetic acid
  • Go 3450
  • GOE 2450
  • GOE 3450
  • CI 945
  • Gabarone
  • NovoGabapentin
  • ApoGabapentin
  • Apo Gabapentin
  • Novo Gabapentin
  • Gabapentin Ratiopharm
  • Gaba 300-EZS
Show all 34 synonyms
  • Serada
  • (1-Aminomethyl-cyclohexyl)-acetic acid
  • [1-(Aminomethyl)cyclohexyl]acetic acid
  • 1-(Aminomethyl)-cyclohexaneacetic acid
  • Gabapentin, neurontin
  • Gabapen
  • Vultin
  • Gabapentin GR
  • GBN

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
White to off-white crystalline solid, crystals from ethanol/etherexp.
Taste
Bitterexp.
Melting point
162 to 166exp.
Solubility
In water, 4.49 ร— 10โบยณ mg/L at 25 ยฐCexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
171.24 g/molcalc.
Exact mass
171.1259 Dacalc.
LogP (octanol/water)
1.37calc.
Topological polar surface area
63.32 ร…ยฒcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
3calc.
Heavy atoms
12calc.
Rings
1calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.89calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCCCC1

C1CCCCC1

1 ring, 6 atoms, the Cyclohexane ring system.

24,737 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
  • H360May damage fertility or the unborn child.
Precautionary statements (18)
  • P203Obtain, read and follow all safety instructions before use.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Gabapentin suppliers

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Gabapentin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Veterinary medication:.

Analgesics, Anti-Anxiety Agents, Anticonvulsants, Antimanic Agents, Antiparkinson Agents, Calcium Channel Blockers, Excitatory Amino Acid Antagonists.

Use classes: Pharmaceuticals, Nervous System.

Pharmacological actions

  • Analgesics
  • Anti-Anxiety Agents
  • Anticonvulsants
  • Antimanic Agents
  • Excitatory Amino Acid Antagonists

Roles

  • analgesic
  • anti-HIV agent
  • anti-anaemic agent
  • anticonvulsant
  • antidepressant
  • antimicrobial agent
  • antineoplastic agent
  • antipsychotic agent
  • anxiolytic drug
  • biophysical role
  • calcium channel blocker
  • central nervous system depressant
  • central nervous system drug
  • environmental contaminant
  • hepatoprotective agent
  • immunomodulator
  • immunosuppressive agent
  • neuroprotective agent
  • pharmaceutical
  • protective agent
  • psychotropic drug
  • tranquilizing drug
  • vulnerary
  • xenobiotic

Functional uses

  • Pharmaceutical

Pharmacology

The physiologic effect of gabapentin is by means of Decreased Central Nervous System Disorganized Electrical Activity.

How it is made

In the original synthesis (Goedecke) cyclohexenone is reacted with ethyl cyanoacetate in the presence of ammonia to yield the Guareschi salt, which is hydrolyzed and decarboxylated to give 1,1-cyclohexanediacetic acid which is transformed to the corresponding anhydride with acetic anhydride. This anhydride is treated with methanol to yield the half ester 2-[1-(methoxycarbonyl)cyclohexyl]acetic acid, which is subjected to a Curtius type rearrangement to give the isocyanate 2-[1-(isocyanatomethyl)cyclohexyl]acetic acid.

Read more

The desired compound is obtained by hydrolysis of 2-[1-(isocyanatomethyl)cyclohexyl]acetic acid with HCl, followed by hydrochloric salt removal via anion exchange.

Cyclohexane-1,1-diacetic acid is monoesterified with methanol and the ester reacted with ethyl chloroformate in the presence of triethylamine followed by reaction with sodium azide to yield the 1-isocyanatomethyl derivative of the monoester. This latter compound is converted to the 1-(aminomethyl) product and the lactam, through the cyclization of the ester and the free amine. The mixture is refluxed with dilute HCl to give the product.

Preparation: G. Satzinger et al., German patent 2460891 (1976 to Godecke), eidem, United States of America patent 4024175 (1977 to Warner-Lambert).

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Gabapentin is traded under.

HS 2922.49Indicative HS code

Amino-acids, other than those containing more than one kind of oxygen function, andโ€ฆ

World exports in 2024
$3.88B
โˆ’11.5% vs 2023, imports $3.87B
2019 to 2024
Top exporters
  1. China38.7%
  2. India * partner reported8.3%
  3. Germany8.1%
Top importers
  1. United States13.4%
  2. Germany11.1%
  3. Japan6.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Gabapentin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Gabapentin, based on the data on this page

What is Gabapentin?

Gabapentin is a gamma-amino acid that is cyclohexane substituted at position 1 by aminomethyl and carboxymethyl groups. Used for treatment of neuropathic pain and restless legs syndrome. It has a role as an anticonvulsant, a xenobiotic, a calcium channel blocker and an environmental contaminant.

What is the CAS number of Gabapentin?

The CAS registry number of Gabapentin is 60142-96-3.

What is the molecular formula and weight of Gabapentin?

The molecular formula of Gabapentin is C9H17NO2 and its molar mass is 171.24 g/mol.

What is Gabapentin used for?

Veterinary medication:. Analgesics, Anti-Anxiety Agents, Anticonvulsants, Antimanic Agents, Antiparkinson Agents, Calcium Channel Blockers, Excitatory Amino Acid Antagonists. Use classes: Pharmaceuticals, Nervous System.

Is Gabapentin hazardous?

Gabapentin carries the GHS signal word "Danger". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Gabapentin?

Gabapentin is usually classified under HS code 292249 (Amino-acids, other than those containing more than one kind of oxygen function, andโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Gabapentin?

CompoundList lists 246 suppliers of Gabapentin in India, China, United States, Canada and 26 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Gabapentin in India?

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What is the price of Gabapentin?

Suppliers quote Gabapentin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Gabapentin

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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