기본 정보
- CAS
78628-28-1- 표준 SMILES
CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1- InChIKey
SMTZFNFIKUPEJC-UHFFFAOYSA-N- 분자식
- C19H28N2O4
- 평균 분자량
- 348.4 g/mol
- 단동위원소 질량
- 348.20490738
개요
Roxane is a member of piperidines.
이름 및 식별자
- 우선 이름
- Roxatidine acetate
- IUPAC
- [2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
- 영어명
- Roxatidine acetate
- 분자식
- C19H28N2O4
- 분자량
- 348.44
이름 및 동의어
ROXATIDINE ACETATE78628-28-1PifatidineZUP3LSD0DODTXSID2048325((3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)carbamoyl)methyl acetate({3-[3-(piperidin-1-ylmethyl)phenoxy]propyl}carbamoyl)methyl acetateRefChem:930911DTXCID7028300AceroxatidineRoxane[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate
이름 더 보기
2-Oxo-2-((3-(3-(piperidin-1-ylMethyl)phenoxy)propyl)aMino)ethyl acetateHOE-760Altat：TZU-0460Gastralgin：RoxitRoxatidine Impurity 5Roxatidine acetate USP/EP/BPRoxatidine Acetate Impurity 5
Aceroxatidine; PifatidineAcetamide, 2-(acetyloxy)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-Roxatidinum [Latin]Roxatidina [Spanish]Acetamide, 2-(acetyloxy)-N-[3-[3-(1-piperidinylmethyl)phenoxy]propyl]-UNII-ZUP3LSD0DONCGC00167499-01BRN 5829308
데이터베이스 식별자
- CAS
78628-28-1- PubChem CID
- 5105
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 67.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 410
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Melting Point
145-146 for HCl salt
145 - 146 (hydrochloride salt)
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 59 · 59-60°
- 끓는 점
- 537.3 · 537.3±45.0 °C(Predicted)
- 밀도
- 1.13 · 1.130±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 14.23 · 14.23±0.46(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 독성
- LD50 orally in male mice: 1000 mg/kg (Shibata)
화학 및 산업
약리 정보
Protein Binding5-7%
Pharmacodynamics
Roxatidine acetate suppresses the effect of histamine on the parietal cells of the stomach (H2-receptor antagonist). This suppressive action is dose-dependent. As a result, the production and secretion, particularly of gastric acid, are reduced. Roxatidine acetate has no antiandrogenic effects and does not influence drug-metabolizing enzymes in the liver.
Mechanism of Action
The H2 antagonists are competitive inhibitors of histamine at the parietal cell H2 receptor. They suppress the normal secretion of acid by parietal cells and the meal-stimulated secretion of acid. They accomplish this by two mechanisms: histamine released by ECL cells in the stomach is blocked from binding on parietal cell H2 receptors which stimulate acid secretion, and other substances that promote acid secretion (such as gastrin and acetylcholine) have a reduced effect on parietal cells when the H2 receptors are blocked.
Biological Half-Life5-6 hours
Metabolism/MetabolitesRoxatidine acetate is rapidly metabolised to the primary, active desacetyl metabolite.
MeSH Pharmacological Classification
Various agents with different action mechanisms used to treat or ameliorate PEPTIC ULCER or irritation of the gastrointestinal tract. This has included ANTIBIOTICS to treat HELICOBACTER INFECTIONS; HISTAMINE H2 ANTAGONISTS to reduce GASTRIC ACID secretion; and ANTACIDS for symptomatic relief.
Drugs that selectively bind to but do not activate histamine H2 receptors, thereby blocking the actions of histamine. Their clinically most important action is the inhibition of acid secretion in the treatment of gastrointestinal ulcers. Smooth muscle may also be affected. Some drugs in this class have strong effects in the central nervous system, but these actions are not well understood.
Absorption, Distribution and ExcretionWell absorbed orally (80–90% bioavailability).
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