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CAS No 60142-96-3 , 2-[1-(aminomethyl)cyclohexyl]acetic acid Search by region : China

  • Name: 2-[1-(aminomethyl)cyclohexyl]acetic acid
  • Synonyms: Novo-Gabapentin; 60142-96-3; Gabapentinum; Gabapentine;Neurontin; Gabapetin;2-[1-(aminomethyl)cyclohexyl]acetic acid; 1-(Aminomethyl)cyclohexaneacetic acid; Aclonium; Gabapentino;
  • CAS Registry Number:
  • Transport: Not reg
  • Density: 1.058 g/cm3
  • Refractive index: 1.484
  • Water Solubility: H2O: 10 mg/mL
  • Safety Statements: 61-36/37/38,
  • Hazard Symbols: T:;
  • EINECS: 262-076-3
  • Molecular Weight: 171.23678
  • 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)
  • Risk Statements: 53-26-36/37/39-45,
  • Molecular Formula: C9H17NO2
  • Molecular Structure:CAS No:60142-96-3 2-[1-(aminomethyl)cyclohexyl]acetic acid

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References of 2-[1-(aminomethyl)cyclohexyl]acetic acid
Title: Gabapentin
CAS Registry Number: 60142-96-3
CAS Name: 1-(Aminomethyl)cyclohexaneacetic acid
Manufacturers' Codes: CI-945; G?-3450; GOE-3450
Trademarks: Neurontin (Parke-Davis)
Molecular Formula: C9H17NO2
Molecular Weight: 171.24
Percent Composition: C 63.13%, H 10.01%, N 8.18%, O 18.69%
Literature References: Calcium channel ligand structurally related to g-aminobutyric acid (GABA), q.v., designed to cross the blood brain barrier. Prepn: G. Satzinger et al., DE 2460891 (1976 to G?decke); eidem, US 4024175 (1977 to Warner-Lambert). Pharmacokinetics and metabolism: K.-O. Vollmer et al., Arzneim.-Forsch. 36, 830 (1986). Clinical pharmacology: B. Saletu et al., Int. J. Clin. Pharmacol. Ther. Toxicol. 24, 362 (1986). GC determn in biological fluids: W. D. Hooper et al., J. Chromatogr. 529, 167 (1990). Clinical trial in treatment of pain in diabetic neuropathy: M. Backonja et al., J. Am. Med. Assoc. 280, 1831 (1998); in treatment of postherpetic neuralgia: M. Rowbotham et al., ibid. 1837. Review of pharmacology and clinical trials in epilepsy: B. Schmidt in Antiepileptic Drugs, R. H. Levy et al., Eds. (Raven Press, New York, 3rd ed., 1989) pp 925-935; K. L. Goa, E. M. Sorkin, Drugs 46, 409-427 (1993); of pharmacology and use in pain management: M. A. Rose, P. C. A. Kam, Anaesthesia 57, 451-462 (2002); of interactions with voltage-gated calcium channels: K. G. Sutton, T. P. Snutch, Drug Dev. Res. 54, 167-172 (2002).
Properties: Crystals from ethanol/ether, mp 162-166° (Satzinger); also reported as mp 165-167° (Schmidt). pKa1 (25°) 3.68; pKa2 10.70. Isoelectric point 7.14. Partition coefficient (octanol/buffer): 0.075 (pH 7.4). Solubility in water at pH 7.4 exceeds 10%.
Melting point: mp 162-166° (Satzinger); mp 165-167° (Schmidt)
pKa: pKa1 (25°) 3.68; pKa2 10.70
Log P: Partition coefficient (octanol/buffer): 0.075 (pH 7.4)
Therap-Cat: Anticonvulsant; analgesic.
Keywords: Anticonvulsant; Analgesic (Non-Narcotic).