기본 정보
- CAS
93793-83-0- 표준 SMILES
CC(=O)OCC(=O)NCCCOc1cccc(CN2CCCCC2)c1.Cl- InChIKey
FEWCTJHCXOHWNL-UHFFFAOYSA-N- 분자식
- C19H29ClN2O4
- 평균 분자량
- 384.9 g/mol
- 단동위원소 질량
- 384.1815851
개요
Roxatidine acetate hydrochloride is a member of piperidines. It contains a Roxane.
이름 및 식별자
- 우선 이름
- Roxatidine Acetate Hydrochloride
- IUPAC
- [2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate;hydrochloride
- 현지명
- 록사티딘아세테이트염산염
- 영어명
- Roxatidine acetate hydrochloride
- 분자식
- C19H29ClN2O4
- 분자량
- 384.89756
이름 및 동의어
roxatidine acetate hydrochloride93793-83-0ROXATIDINE ACETATE HClAltatHOE 760TZU-0460Hoe-760Pifatidine hydrochlorideDTXSID2046670NSC-76038460426GOR1EDTXCID0026670
이름 더 보기
록사티딘아세테이트염산염RXTARoxitXarcinNeo H2tzu0460PIFEATIDINERoxatidine acetate h
RefChem:883873(3-(3-((Piperidin-1-yl)methyl)phenoxy)propylcarbamoyl)methyl acetate monohydrochloride685-494-1Gastralgin2-Acetoxy-N-[3-[3-(1-piperidinomethylphenoxy]propyl]acetamide hydrochlorideMFCD00941429Roxatidine (Acetate Hydrochloride)2-Oxo-2-((3-(3-(piperidin-1-ylmethyl)phenoxy)propyl)amino)ethyl acetate hydrochloride
데이터베이스 식별자
- CAS
93793-83-0- PubChem CID
- 56704
- DTXSID
DTXSID2046670- ChEMBL
CHEMBL2104871- ChEBI
CHEBI:32107
물성
구조 계산 물성
- 극성 표면적
- 67.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 410
물리화학적 성질
- 녹는점
- 145 · 145-146°
- 저장 조건
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 용해도
- 78 mg/ml; · DMSO: 78 mg/ml; Ethanol: 12 mg/ml; Water: 77 mg/ml
- 물리적 상태
- powder to crystal
- 색상
- 흰색에서 거의 흰색
- Merck
- 14 · 14,8274
- InChI
- InChI=1S/C19H28N2O4.ClH/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21;/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23);1H
- InChIKey
- FEWCTJHCXOHWNL-UHFFFAOYSA-N
- SMILES
- [H]Cl.C(OCC(=O)NCCCOC1=CC=CC(CN2CCCCC2)=C1)(=O)C
화학적 성질
White 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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 30 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- rtecs
- AC3855000
- HS 번호
- 2933.39.9200
화학 및 산업
약리 정보
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.
응용 분야
개요Roxatidine acetate hydrochloride is an H2 antagonist, differing considerably in structure from other marketed agents(cimetidine, ranitidine and famotidine) in this category. It is useful in the treatment of gastric, duodenal and anastomotic ulcers, Zollinger-Ellison syndrome and peptic esophagitis.
용도antibacterial
상·하류 제품 정보
상류 원료
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司
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