Substance Name: 4-Amino-3-phenylbutyric acid
RN: 1078-21-3
InChIKey: DAFOCGYVTAOKAJ-UHFFFAOYSA-N

Note

  • Phenyl deriv of GABA.

Molecular Formula

  • C10-H13-N-O2

Molecular Weight

  • 179.218
2D chemical structure of 1078-21-3
 

Classification Codes

  • Anticonvulsants
  • Central Nervous System Agents
  • Central Nervous System Depressants
  • Central Nervous System Stimulants
  • Convulsants
  • Drug / Therapeutic Agent
  • GABA agents
  • GABA Agonists
  • Human Data
  • Hypnotics and sedatives
  • Neurotransmitter Agents
  • Psychotropic Drugs
  • Tranquilizing agents

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Names and Synonyms

Name of Substance

  • 4-Amino-3-phenylbutyric acid

Synonyms

  • 4-14-00-01723 (Beilstein Handbook Reference)
  • 4-Amino-3-phenylbutanoic acid
  • 4-Amino-3-phenylbutyric acid
  • beta-(Aminomethyl)benzenepropanoic acid
  • beta-(Aminomethyl)hydrocinnamic acid
  • beta-Phenyl-gamma-aminobutyrate
  • beta-Phenyl-gamma-aminobutyric acid
  • BRN 2804903
  • EINECS 214-079-6
  • Fenibut
  • Fenigam
  • Fenigama
  • Pgaba
  • Phenibut
  • Phenigam
  • Phenigama
  • Phenylgam
  • Phenylgamma
  • PhGaba
  • UNII-T2M58D6LA8

Systematic Names

  • 4-Amino-3-phenylbutyric acid
  • Benzenepropanoic acid, beta-(aminomethyl)-
  • Butyric acid, 4-amino-3-phenyl-

Registry Numbers

CAS Registry Number

  • 1078-21-3

Other Registry Number

  • 35568-37-7

System Generated Number

  • 0001078213

Structure Descriptors

InChI

1S/C10H13NO2/c11-7-9(6-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)

InChIKey

DAFOCGYVTAOKAJ-UHFFFAOYSA-N

Smiles

c1([C@@H](CC(O)=O)CN)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo oral 5mg/kg (5mg/kg) BEHAVIORAL: SLEEP

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: "HALLUCINATIONS, DISTORTED PERCEPTIONS"
Bulletin of Experimental Biology and Medicine Vol. 57, Pg. 52, 1964.
mouse LD50 intraperitoneal 900mg/kg (900mg/kg)   Bulletin of Experimental Biology and Medicine Vol. 57, Pg. 52, 1964.
rat LD50 intraperitoneal 700mg/kg (700mg/kg)   Bulletin of Experimental Biology and Medicine Vol. 57, Pg. 52, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 253 dec deg C   EXP
log P (octanol-water) -1.970 (none)   EST
Atmospheric OH Rate Constant 4.06E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by Syracuse Research Corporation.
See all available property data for this compound, including references.