Gabapentin

Suppliers

Names

[ CAS No. ]:
60142-96-3

[ Name ]:
Gabapentin

[Synonym ]:
Gabapetin
Neurontin
1-(Aminomethyl)-cyclohexaneacetic acid
2-[1-(aminomethyl)cyclohexyl]acetic acid
Cyclohexaneacetic acid, 1-(aminomethyl)-
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

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

[ Storage condition ]:
Desiccate at +4°C

[ Water Solubility ]:
H2O: 10 mg/mL

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GU6496000
CHEMICAL NAME :
Cyclohexaneacetic acid, 1-(aminomethyl)-
CAS REGISTRY NUMBER :
60142-96-3
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C9-H17-N-O2
MOLECULAR WEIGHT :
171.27

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>8 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 11,518,1986
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>2 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 11,518,1986
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>8053 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 9,418,1984
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 11,518,1986

Safety Information

[ Symbol ]:

GHS07, GHS08

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H315-H319-H335-H360

[ Precautionary Statements ]:
P201-P261-P305 + P351 + P338-P308 + P313

[ Personal Protective Equipment ]:
Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
T

[ Risk Phrases ]:
R61

[ Safety Phrases ]:
S53-S26-S36/37/39-S45

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
3

[ RTECS ]:
GU6496000

[ HS Code ]:
2922499990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-Cyanocyclohexaneacetonitrile
  • 1-Cyanocyclohexaneaceticacid
  • gabapentin hydroxybenzoate
  • 1,2-Cyclobutanedicarboxylic acid
  • benzyl 1-(nitromethyl)cyclohexyl-acetate
  • 1-(nitromethyl)cyclohexyl-acetic acid
  • 1,1-Cyclohexanediacetic acid mono amide
  • 2-[1-(aminomethyl)cyclohexyl]acetic acid,sulfuric acid

DownStream

  • Gabapentin enacarbil
  • 2-(1-((TERT-BUTOXYCARBONYL)AMINO)CYCLOHEXYL)ACETIC ACID
  • 2-N-BOC-AMINOMETHYL-2-CYCLOHEXYLACETICACID
  • 1-(Carboxymethyl)cyclohexanecarboxylic acid
  • Gabapentin-lactam
  • Cyclohexane, methylene-
  • 1-(Hydroxymethyl)cyclohexane-1-acetic acid
  • Fmoc-Gabapentin

Customs

[ HS Code ]: 2922499990

[ Summary ]:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%

Articles

Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

J. Sci. Ind. Res. 65(10) , 808, (2006)

Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...

Developing structure-activity relationships for the prediction of hepatotoxicity.

Chem. Res. Toxicol. 23 , 1215-22, (2010)

Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ...

A predictive ligand-based Bayesian model for human drug-induced liver injury.

Drug Metab. Dispos. 38 , 2302-8, (2010)

Drug-induced liver injury (DILI) is one of the most important reasons for drug development failure at both preapproval and postapproval stages. There has been increased interest in developing predicti...


More Articles

Related Compounds

  • Gabapentin-d6
  • Gabapentin-d4
  • Gabapentin HCl
  • Gabapentin-D10
  • forgabapentine
  • Gabapentin-13C3
  • (+/-)-Tert-butyl-4-oxo-3-azatricyclo[4.2.1.02,5]nonane-3-carboxylate
  • 2-{(1R)-1-[(tert-butoxycarbonyl)amino]-2-methylpropyl}-5-methyl-1,3-oxazole-4-carboxylic acid
  • 2-{(1S)-1-[(tert-butoxycarbonyl)amino]ethyl}-5-methyl-1,3-oxazole-4-carboxylic acid
  • 2-{(1S)-2-(benzyloxy)-1-[(tert-butoxycarbonyl)amino]ethyl}-5-methyl-1,3-oxazole-4-carboxylic acid
  • Tert-butyl (1-phenylpent-4-en-2-yl)carbamate
  • N-Boc-(+/-)-undec-1-en-4-amine
  • Tert-butyl (5-hydroxy-5-methylhex-1-en-3-yl)carbamate
  • N-Boc-[1-(prop-2-en-1-yl)cyclobutyl]amine
  • N-Boc-(+/-)-4-(4-{[tert-butyl(diphenyl)silyl]oxy}-phenyl)-3-amino-1-buten
  • methyl 2-((1S)-1-((tert-butoxycarbonyl)amino)-2-methylpropyl)-5-methyl-1H-imidazole-4-carboxylate
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