CAS Number60142-96-3
SynonymsGabapetin; Neurontin; 1-(Aminomethyl)-cyclohexaneacetic acid; 2-[1-(aminomethyl)cyclohexyl]acetic acid; GABAPENTINE; GABAPENTIN; Gabapentin hydrochloride; 2-[(aminomethyl)cyclohexyl]acetic acid; 1-(aminomethyl)cyclohexaneacetic acid; MFCD00865286; 2-(1-(aminomethyl)cyclohexyl)acetic acid; EINECS 262-076-3; Gababentin; [1-(Aminomethyl)cyclohexyl]acetic acid; Gabapentin HCl
Molecular FormulaC9H17NO2
Molecular Weight171.24
Purity98%
Density1.1±0.1 g/cm3
Boiling Point314.4±15.0 °C at 760 mmHg
Melting Point162°C
AppearanceWhite to off-white crystalline powder
Symbol
Signal WordWarning
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 60142-96-3 |
| Catalog No. | 2A-0200168 |
| Chinese Name | 加巴喷丁 |
| Synonyms | Gabapetin; Neurontin; 1-(Aminomethyl)-cyclohexaneacetic acid; 2-[1-(aminomethyl)cyclohexyl]acetic acid; GABAPENTINE; GABAPENTIN; Gabapentin hydrochloride; 2-[(aminomethyl)cyclohexyl]acetic acid; 1-(aminomethyl)cyclohexaneacetic acid; MFCD00865286; 2-(1-(aminomethyl)cyclohexyl)acetic acid; EINECS 262-076-3; Gababentin; [1-(Aminomethyl)cyclohexyl]acetic acid; Gabapentin HCl |
| Molecular Formula | C9H17NO2 |
| Molecular Weight | 171.24 |
| Purity | 98 |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 314.4±15.0 °C at 760 mmHg |
| Melting Point | 162°C |
| Appearance | White to off-white crystalline powder |
| Water Solubility | H2O: 10 mg/mL |
| Storage Condition | Store in a sealed container in a cool, dry place |
| Application | Gabapentin (Neurontin) is a GABA analog that can be used to relieve neuropathic pain. |
| HTC | 2922499990 |
| PubChem ID | 329749919 |
| MDL Number | MFCD00865286 |
| SMILES | NCC1(CC(O)=O)CCCCC1 |
| InChI | 1S/C9H17NO2/c10-7-9(6-8(11)12)4-2-1-3-5-9/h1-7,10H2,(H,11,12) |
| InChI Key | UGJMXCAKCUNAIE-UHFFFAOYSA-N |
| Beilstein/REAXYS | 2359739 |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| Hazard Symbols | Transport |
| MSDS | msds/10668_1_60142_96_3.pdf |
| Bioactivity | Gabapentin (Neurontin) is a pharmaceutical drug, specifically a GABA analog. It was originally developed to treat epilepsy, and currently is also used to relieve neuropathic pain.IC50 Value: 140 nM (α2δ subunit of calcium channel) [1]Target: Calcium Channelin vitro: Gabapentin, baclofen and CGP 44532 all reduced the electrically stimulated release of [3H]glutamic acid (IC50=20 microM, 0.8 microM and 2 microM, respectively). Gabapentin was without effect on the release of [3H]GABA, whilst baclofen (IC50=8 microM) and CGP 44532 (IC50=1 microM) inhibited [3H]GABA release [2]. A large inhibition of calcium currents by gabapentin was observed in pyramidal neocortical cells (up to 34%). Significantly, the gabapentin-mediated inhibition of calcium currents saturated at particularly low concentrations (around 10 microM), at least in neocortical neurons (IC50 about 4 microM) [3].in vivo: Gabapentin produced an anti-allodynic effect over the 7-day period, reducing the expression of pro-inflammatory cytokines but increasing the expression of IL-10 (TNF-α, 316.0 ± 69.7 pg/mL vs 88.8 ± 24.4 pg/mL; IL-1β, 1,212.9 ± 104.5 vs 577.4 ± 97.1 pg/mL; IL-6, 254.0 ± 64.8 pg/mL vs 125.5 ± 44.1 pg/mL; IL-10, 532.1 ± 78.7 pg/mL vs 918.9 ± 63.1 pg/mL). The suppressive effect of gabapentin on pro-inflammatory cytokine expression was partially blocked by the anti-IL-10 antibody [4].Toxicity: No new safety signals or adverse event trends relating to GEn exposure were identified [5].Clinical trial: N/A Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Calcium Channel Research Areas >> Neurological Disease Natural Products >> Others References [1]. Pan CF, et al. Inhibitory mechanisms of gabapentin, an antiseizure drug, on platelet aggregation. J Pharm Pharmacol. 2007 Sep;59(9):1255-61. [2]. Gee NS, et al. The novel anticonvulsant drug, gabapentin (Neurontin), binds to the alpha2delta subunit of a calcium channel. J Biol Chem. 1996 Mar 8;271(10):5768-76. [3]. Abdel-Salam OM, et al. The effect of gabapentin on oxidative stress in a model of toxic demyelination in rat brain. J Basic Clin Physiol Pharmacol. 2012;23(2):61-8. [4]. Yang JL, et al. Gabapentin reduces CX3CL1 signaling and blocks spinal microglial activation in monoarthritic rats. Mol Brain. 2012 May 30;5:18. [5]. Zand L, et al. Gabapentin toxicity in patients with chronic kidney disease: a preventable cause of morbidity. Am J Med. 2010 Apr;123(4):367-73. [6]. Hung TY, et al. Gabapentin toxicity: an important cause of altered consciousness in patients with uraemia. BMJ Case Rep. 2009;2009. pii: bcr11.2008.1268. Chemical & Physical Properties Density 1.1±0.1 g/cm3 Boiling Point 314.4±15.0 °C at 760 mmHg Melting Point 162°C Molecular Formula C9H17NO2 Molecular Weight 171.237 Flash Point 144.0±20.4 °C Exact Mass 171.125931 PSA 63.32000 LogP 1.19 Vapour Pressure 0.0±1.4 mmHg at 25°C Index of Refraction 1.489 InChIKey UGJMXCAKCUNAIE-UHFFFAOYSA-N SMILES NCC1(CC(=O)O)CCCCC1 Storage condition Desiccate at +4°C Water Solubility H2O: 10 mg/mL |
| Use of | Properties Articles110 Name Gabapentin Synonym More Synonyms Gabapentin Biological Activity Related Catalog Signaling Pathways >> Membrane Transporter/Ion Channel >> Calcium Channel Research Areas >> Neurological Disease Natural Products >> Others References [1]. Pan CF, et al. Inhibitory mechanisms of gabapentin, an antiseizure drug, on platelet aggregation. J Pharm Pharmacol. 2007 Sep;59(9):1255-61. [2]. Gee NS, et al. The novel anticonvulsant drug, gabapentin (Neurontin), binds to the alpha2delta subunit of a calcium channel. J Biol Chem. 1996 Mar 8;271(10):5768-76. [3]. Abdel-Salam OM, et al. The effect of gabapentin on oxidative stress in a model of toxic demyelination in rat brain. J Basic Clin Physiol Pharmacol. 2012;23(2):61-8. [5]. Zand L, et al. Gabapentin toxicity in patients with chronic kidney disease: a preventable cause of morbidity. Am J Med. 2010 Apr;123(4):367-73. [6]. Hung TY, et al. Gabapentin toxicity: an important cause of altered consciousness in patients with uraemia. BMJ Case Rep. 2009;2009. pii: bcr11.2008.1268. Chemical & Physical Properties Molecular Formula C9H17NO2 Exact Mass 171.125931 PSA 63.32000 Index of Refraction 1.489 InChIKey UGJMXCAKCUNAIE-UHFFFAOYSA-N SMILES NCC1(CC(=O)O)CCCCC1 |
| Tax Rebate | 9.0% |
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| Inspection | P. Quarantine of entry animals, plants, and animal and plant products Q. Quarantine of exit animals, plants, and animal and plant products R. Hygiene supervision and inspection of imported food S. Hyg |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: Non-dangerous goods IMDG Code: Non-dangerous goods International air transport dangerous goods regulations: non-dangerous goods 14.3 Transport hazard categories European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.4 Package group European Land Transport Dangerous Regulations: -International Maritime Dangerous Regulations: -International Air Transport Dangerous Regulations: - 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available See reverse side of invoice or packing slip. |
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