기본 정보
- 표준 SMILES
NCC(CC(=O)O)c1ccccc1- InChIKey
DAFOCGYVTAOKAJ-UHFFFAOYSA-N- 분자식
- C10H13NO2
- 평균 분자량
- 179.22 g/mol
- 단동위원소 질량
- 179.09462866
개요
Phenibut is an organonitrogen compound and an organooxygen compound. It is functionally related to a gamma-amino acid.
이름 및 식별자
- 우선 이름
- Phenibut
- IUPAC
- 4-amino-3-phenylbutanoic acid
이름 및 동의어
4-Amino-3-phenylbutanoic acidPhenibut1078-21-3Fenibut4-Amino-3-phenylbutyric acidPhGabaphenigammaphenygamphenyl-GABAbeta-(Aminomethyl)benzenepropanoic acidbeta-Phenyl-gamma-aminobutyric acidbeta-(Aminomethyl)hydrocinnamic acid
이름 더 보기
T2M58D6LA8Dl-4-amino-3-phenylbutanoic acidDTXSID70870838phenybutcitrocardnoophenRefChem:517857DTXCID80818524
데이터베이스 식별자
- CAS
1078-21-3- PubChem CID
- 14113
- DTXSID
DTXSID70870838- ChEMBL
CHEMBL315818- ChEBI
CHEBI:136039- UNII
- T2M58D6LA8
- EC Number
- 214-079-6
- Nikkaji
- J12.174F
물성
구조 계산 물성
- XLogP
- -1.6
- 극성 표면적
- 63.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 164
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
안전 및 규제
GHS 분류
GHS Classification
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.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (75%)
화학 및 산업
약리 정보
ATC Code
N - Nervous system
QN - Nervous system
MeSH Pharmacological Classification
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).
용도 및 제조
General Manufacturing InformationBenzenepropanoic acid, .beta.-(aminomethyl)-: INACTIVE
관련 반응
2건
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