기본 정보
- CAS
13392-18-2- 표준 SMILES
CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1- InChIKey
LSLYOANBFKQKPT-UHFFFAOYSA-N- 분자식
- C17H21NO4
- 평균 분자량
- 303.35 g/mol
- 단동위원소 질량
- 303.14705815
개요
Fenoterol is a member of the class resorcinols that is 5-(1-hydroxyethyl)benzene-1,3-diol in which one of the methyl hydrogens is replaced by a 1-(4-hydroxyphenyl)propan-2-amino group. A beta2-adrenergic agonist, it is used (as the hydrobromide salt) as a bronchodilator in the management of reversible airway obstruction. It has a role as a beta-adrenergic agonist, a bronchodilator agent, a sympathomimetic agent and a tocolytic agent. It is a member of resorcinols, a secondary alcohol and a secondary amino compound.
이름 및 식별자
- 우선 이름
- Fenoterol
- IUPAC
- 5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol
- 현지명
- 페노테롤
- 영어명
- Fenoterol
- 분자식
- C17H21NO4
- 분자량
- 303.35
이름 및 동의어
fenoterol13392-18-2PhenoterolFenoterolumBerotec5-(1-hydroxy-2-{[1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)benzene-1,3-diolDosberotecAirum1-(3,5-Dihydroxyphenyl)-1-hydroxy-2-((4-hydroxyphenyl)isopropylamino)ethane5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol1-(p-Hydroxyphenyl)-2-((beta-hydroxy-beta-(3',5'-dihydroxyphenyl))ethyl)aminopropane3,5-Dihydroxy-alpha-(((p-hydroxy-alpha-methylphenethyl)amino)methyl)benzyl alcohol
이름 더 보기
페노테롤lcoholTh 1165opropaneAURORA KA-7877Fenoterol MonomerFenoterol USP/EP/BPFenoterol (Th-1165aFenoterol & Fenoterol Hydrobromide
DTXSID4023046CHEBI:1492261,3-Benzenediol, 5-(1-hydroxy-2-((2-(4-hydroxyphenyl)-1-methylethyl)amino)ethyl)-5-{1-Hydroxy-2-[2-(4-hydroxy-phenyl)-1-methyl-ethylamino]-ethyl}-benzene-1,3-diolNSC-757811TH-11655-(1-hydroxy-2-(1-(4-hydroxyphenyl)propan-2-ylamino)ethyl)benzene-1,3-diolp-Hydroxyphenylorciprenaline
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 93 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 310
실험 및 물리화학적 성질
DrugsPharmaceuticals
LogP0.34
Solubility1.62e-01 g/L
Human DrugsPharmaceuticals
Melting Point222-223
Physical DescriptionSolid
Collision Cross Section
180.4 Ų [M+H]+ [CCS Type: TW]
169.04 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
168.94 Ų [M-H]-
물리화학적 성질
- 녹는점
- 181 · 181-183°C
- 끓는 점
- 566 · 566.0±45.0 °C(Predicted)
- 밀도
- 1.289 · 1.289±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 산도 계수 (pKa)
- 8.5 · pKa 8.5 (Uncertain);10.0 (Uncertain)
- 물리적 상태
- Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationREACH registered substance: 5-(1-Hydroxy-2-{[1-(4-hydroxyphenyl)-2-propanyl]amino}ethyl)-1,3-benzenediol (EC: 680-817-2)
Other Safety InformationIMAP assessments - 1,3-Benzenediol, 5-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
fenoterol
DILI Positive
Oral; Respiratory (inhalation)
DOI:10.1016/j.drudis.2019.09.022
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
약리 정보
ATC Code
R03AL01
R - Respiratory system
R - Respiratory system
G - Genito urinary system and sex hormones
QR - Respiratory system
QG - Genito urinary system and sex hormones
PharmacodynamicsFenoterol is a beta agonist designed to open up the airways to the lungs by decreasing bronchconstriction.
Mechanism of ActionBeta(2)-receptor stimulation in the lung causes relaxation of bronchial smooth muscle, bronchodilation, and increased bronchial airflow.
Metabolism/MetabolitesHepatic.
MeSH Pharmacological Classification
Agents that cause an increase in the expansion of a bronchus or bronchial tubes.
Drugs that mimic the effects of stimulating postganglionic adrenergic sympathetic nerves. Included here are drugs that directly stimulate adrenergic receptors and drugs that act indirectly by provoking the release of adrenergic transmitters.
Drugs that prevent preterm labor and immature birth by suppressing uterine contractions (TOCOLYSIS). Agents used to delay premature uterine activity include magnesium sulfate, beta-mimetics, oxytocin antagonists, calcium channel inhibitors, and adrenergic beta-receptor agonists. The use of intravenous alcohol as a tocolytic is now obsolete.
Compounds bind to and activate ADRENERGIC BETA-2 RECEPTORS.
Cellular LocationsMembrane
용도 및 제조
UsesUse (kg; approx.) in Germany (2009): >50
Use ClassificationPharmaceuticals
응용 분야
관련 반응
2건
화합물 노트
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