Phenibut

HCID 14113CAS 1078-21-3

部分構造検索類似構造を探す

基本情報

標準SMILES: NCC(CC(=O)O)c1ccccc1
InChIKey: DAFOCGYVTAOKAJ-UHFFFAOYSA-N
分子式: C10H13NO2
平均分子量: 179.22 g/mol
単同位体質量: 179.09462866

概要

Phenibut is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid.

名称と識別子

優先名称: Phenibut
IUPAC: 4-amino-3-phenylbutanoic acid

名称と別名

4-Amino-3-phenylbutanoic acidPhenibut1078-21-3Fenibut4-Amino-3-phenylbutyric acidPhGabaphenigammaphenygamphenyl-GABAbeta-(Aminomethyl)benzenepropanoic acidbeta-Phenyl-gamma-aminobutyric acidbeta-(Aminomethyl)hydrocinnamic acid

名称をさらに表示

T2M58D6LA8Dl-4-amino-3-phenylbutanoic acidDTXSID70870838phenybutcitrocardnoophenRefChem:517857DTXCID80818524

データベース識別子

CAS: 1078-21-3
PubChem CID: 14113
DTXSID: DTXSID70870838
ChEMBL: CHEMBL315818
ChEBI: CHEBI:136039
UNII: T2M58D6LA8
EC Number: 214-079-6
Nikkaji: J12.174F

物性

構造計算による物性

XLogP: -1.6
極性表面積: 63.3 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 13
形式電荷: 0
複雑度: 164

実験および物理化学的性質

DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (75%)

化学と産業

薬理情報

ATC Code · 2 件

N - Nervous system

QN - Nervous system

MeSH Pharmacological Classification · 5 件

Drugs used to prevent SEIZURES or reduce their severity.

Substances that act in the brain stem or spinal cord to produce tonic or clonic convulsions, often by removing normal inhibitory tone. They were formerly used to stimulate respiration or as antidotes to barbiturate overdose. They are now most commonly used as experimental tools.

Drugs used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.

A traditional grouping of drugs said to have a soothing or calming effect on mood, thought, or behavior. Included here are the ANTI-ANXIETY AGENTS (minor tranquilizers), ANTIMANIC AGENTS, and the ANTIPSYCHOTIC AGENTS (major tranquilizers). These drugs act by different mechanisms and are used for different therapeutic purposes.

Endogenous compounds and drugs that bind to and activate GAMMA-AMINOBUTYRIC ACID receptors (RECEPTORS, GABA).

用途と製造

General Manufacturing InformationBenzenepropanoic acid, .beta.-(aminomethyl)-: INACTIVE