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Substance Name: Gamma-aminobutyric acid [JAN]
RN: 56-12-2
UNII: 2ACZ6IPC6I
InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N

Note

  • The most common inhibitory neurotransmitter in the central nervous system.

Molecular Formula

  • C4-H9-N-O2

Molecular Weight

  • 103.1201
 

Classification Codes

  • Drug / Therapeutic Agent
  • GABA Agents
  • Neurotransmitter Agents
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Names and Synonyms

Name of Substance

  • Butanoic acid, 4-amino-
  • GABA
  • Gamma-aminobutyric acid [JAN]

MeSH Heading

  • gamma-Aminobutyric acid

Synonyms

  • 4-Aminobutanoic acid
  • 4-Aminobutyric acid
  • Acide amino-4- butyrique
  • Acide amino-4- butyrique [French]
  • AI3-26812
  • Aminalon
  • Aminalone
  • CCRIS 3721
  • DF 468
  • EINECS 200-258-6
  • EPA Pesticide Chemical Code 030802
  • GABA
  • Gaballon
  • Gamarex
  • Gamastan
  • gamma-Amino-n-butyric acid
  • gamma-Aminobutanoic acid
  • gamma-Aminobuttersaeure
  • gamma-Aminobuttersaeure [German]
  • gamma-Aminobutyric acid
  • Gammagee
  • Gammalon
  • Gammalone
  • Gammar
  • Gammasol
  • Gamulin
  • Immu-G
  • Mielogen
  • Mielomade
  • NSC 27418
  • Piperidic acid
  • Piperidinic acid
  • Reanal
  • UNII-2ACZ6IPC6I

Systematic Names

  • 4-Aminobutyric acid
  • Butanoic acid, 4-amino-
  • Butyric acid, 4-amino-
  • gamma-Amino-n-butyric acid
  • gamma-Aminobutyric acid

Registry Numbers

CAS Registry Number

  • 56-12-2

FDA UNII

  • 2ACZ6IPC6I

Other Registry Number

  • 3131-86-0

Related Registry Numbers

  • 5959-35-3 (hydrochloride)
  • 6610-05-5 (mono-hydrochloride salt)
  • 70582-09-1 (calcium salt (2:1))

System Generated Number

  • 0000056122

Structure Descriptors

InChI

1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)

InChIKey

BTCSSZJGUNDROE-UHFFFAOYSA-N

Smiles

C(C(O)=O)CCN

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intravenous 5gm/kg (5000mg/kg)   Russian Pharmacology and Toxicology Vol. 47, Pg. 205, 1984.
mouse LD50 intraperitoneal 4950mg/kg (4950mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: GENERAL ANESTHETIC		 Archivum Immunologiae et Therapiae Experimentalis. Vol. 13, Pg. 70, 1965.
mouse LD50 intravenous 2748mg/kg (2748mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 145, Pg. 233, 1963.
mouse LD50 oral 12680mg/kg (12680mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 85, Pg. 463, 1965.
mouse LD50 subcutaneous 9210mg/kg (9210mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 85, Pg. 463, 1965.
mouse LD50 unreported 7230mg/kg (7230mg/kg)   Bitamin. Vol. 25, Pg. 297, 1962.
rabbit LDLo intravenous 2400mg/kg (2400mg/kg)   Archivum Immunologiae et Therapiae Experimentalis. Vol. 13, Pg. 70, 1965.
rat LD50 intraperitoneal 5400mg/kg (5400mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)		 Archivum Immunologiae et Therapiae Experimentalis. Vol. 13, Pg. 70, 1965.
rat LD50 intravenous > 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #3380887,
rat LDLo intracrebral 18mg/kg (18mg/kg)   Biochemical Pharmacology. Vol. 14, Pg. 1901, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 203 dec deg C   EXP
pKa Dissociation Constant 4.0459 (none) 15 EXP
log P (octanol-water) -3.17E+00 (none)   EXP
Water Solubility 1.30E+06 mg/L 25 EXP
Vapor Pressure 1.98E-08 mm Hg 25 EST
Henry's Law Constant 9.93E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.45E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.