기본 정보
- CAS
26652-09-5- 표준 SMILES
C[C@H](NCCc1ccc(O)cc1)[C@H](O)c1ccc(O)cc1- InChIKey
IOVGROKTTNBUGK-SJCJKPOMSA-N- 분자식
- C17H21NO3
- 평균 분자량
- 287.35 g/mol
- 단동위원소 질량
- 287.15214353
개요
Adrenergic beta-agonist used to control premature labor.
이름 및 식별자
- 우선 이름
- Ritodrine
- IUPAC
- 4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol
- 현지명
- 리토드린
- 영어명
- RITODRINE
- 분자식
- C17H21NO3
- 분자량
- 287.35
이름 및 동의어
ritodrineRitodrinap-Hydroxy-alpha-(1-((p-hydroxyphenethyl)amino)ethyl)benzyl alcohol4-[(1R,2S)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenolDU-21220DTXSID70485344-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino}ethyl)phenol4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenol4-(2-(((1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl)amino)ethyl)phenolritodrinum4-((1R,2S)-1-hydroxy-2-((2-(4-hydroxyphenyl)ethyl)amino)propyl)phenolDU21220
이름 더 보기
리토드린LavopaPremarFormoterol-dRITODRINE USP/EP/BPPhenoxybenzamine hydrochlRitodrine Impurity 2 (Ritodrine)(1R,2S)-2-(4-Hydroxyphenethylamino)-1-(4-hydroxyphenyl)-1-propanol4-[(1R,2S)-1-Hydroxy-2-[2-(4-hydroxyphenyl)ethylamino]propyl]phenol
Benzenemethanol, 4-hydroxy-alpha-(1-((2-(4-hydroxyphenyl)ethyl)amino)ethyl)-, (R*,S*)-RefChem:883660G02CA01DTXCID801508631247-879-926652-09-5DU 21220I0Q6O6740J
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 72.7 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 284
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP2.4
Solubility
Complete
1.79e-01 g/L
Human DrugsPharmaceuticals
Melting Point
88-90 °C
88 - 90 °C
Physical DescriptionSolid
Collision Cross Section
165.17 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
165.8 Ų [M+H]+ [CCS Type: TW]
163.25 Ų [M-H]-
물리화학적 성질
- 녹는점
- 88 · 88-90 °C
- 끓는 점
- 512.3 · 512.3±45.0 °C(Predicted)
- 밀도
- 1.213 · 1.213±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9 · pKa 9.0 (Uncertain)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
RITODRINE
DILI Positive
Oral, Intravenous
DOI:10.1016/j.drudis.2019.09.022
안전 데이터
- 기존화학 물질
- KE-20582
화학 및 산업
약리 정보
ATC Code
G - Genito urinary system and sex hormones
QG - Genito urinary system and sex hormones
Protein Binding~56%
Pharmacodynamics
Beta-2 adrenergic receptors are located at sympathetic neuroeffector junctions of many organs, including uterus. Ritodrine is beta-2 adrenergic agonist. It stimulates beta-2 adrenergic receptor, increases cAMP level and decreases intracellular calcium concentration. The decrease of calcium concentration leads to a relaxation of uterine smooth muscle and, therefore, a decrease in premature uterine contractions.
Mechanism of Action
Ritodrine is beta-2 adrenergic agonist. It binds to beta-2 adrenergic receptors on outer membrane of myometrial cell, activates adenyl cyclase to increase the level of cAMP which decreases intracellular calcium and leads to a decrease of uterine contractions.
Biological Half-Life1.7-2.6 hours
Metabolism/MetabolitesHepatic, by both the mother and fetus
MeSH Pharmacological Classification
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 LocationsCytoplasm
관련 반응
2건
화합물 노트
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