Proglumide
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기본 정보
- CAS
6620-60-6- 표준 SMILES
CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1- InChIKey
DGMKFQYCZXERLX-UHFFFAOYSA-N- 분자식
- C18H26N2O4
- 평균 분자량
- 334.4 g/mol
- 단동위원소 질량
- 334.18925731
개요
Proglumide is a racemate composed of equal amounts of (R)- and (S)-proglumide. A non-selective CCK antagonist that was used primarily for treatment of stomach ulcers, but has been replaced by newer drugs. It has a role as an opioid analgesic, a cholinergic antagonist, a drug metabolite, an anti-ulcer drug, a gastrointestinal drug, a delta-opioid receptor agonist, a cholecystokinin antagonist and a xenobiotic metabolite. It contains a (R)-proglumide and a (S)-proglumide.
이름 및 식별자
- 우선 이름
- Proglumide
- IUPAC
- 4-benzamido-5-(dipropylamino)-5-oxopentanoic acid
- 영어명
- Proglumide
- 분자식
- C18H26N2O4
- 분자량
- 334.41
이름 및 동의어
proglumide6620-60-64-benzamido-5-(dipropylamino)-5-oxopentanoic acidBinosideXylamidedl-proglumideMilidNulsaGastrotopicMidelidUlcutinProglumida
이름 더 보기
ProMkxm242dlcr242w5219milide
XydeProglumidumPromidW-5219DTXSID7023516242 DLCR-242(+-)-4-Benzamido-N,N-dipropylglutaramic acid
데이터베이스 식별자
- CAS
6620-60-6- PubChem CID
- 4922
- DTXSID
DTXSID7023516- ChEMBL
CHEMBL316561- ChEBI
CHEBI:32058- UNII
- EPL8W5565D
- EC Number
- 229-567-4
- Nikkaji
- J3.421E
물성
구조 계산 물성보충 중
- XLogP
- 2.4
- 극성 표면적
- 86.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 413
실험 및 물리화학적 성질
Human DrugsPharmaceuticals
Collision Cross Section
181.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
186.48 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 148 · 148-150°C
- 끓는 점
- 471.21 °C · 471.21°C (rough estimate)
- 밀도
- 1.1944 · 1.1944 (rough estimate)
- 굴절률
- 1.57 · 1.5700 (estimate)
- 저장 조건
- Keep in dark place,Sealed in dry,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 4.51 · 4.51±0.10(Predicted)
- 색상
- 크리스탈
- InChI
- InChI=1S/C18H26N2O4/c1-3-12-20(13-4-2)18(24)15(10-11-16(21)22)19-17(23)14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3,(H,19,23)(H,21,22)
- InChIKey
- DGMKFQYCZXERLX-UHFFFAOYSA-N
- SMILES
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.
Not Classified
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationREACH registered substance: Proglumide (EC: 229-567-4)
Other Safety InformationIMAP assessments - Pentanoic acid, 4-(benzoylamino)-5-(dipropylamino)-5-oxo-, (.+-.)-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified
안전 데이터
- 독성
- LD50 in mice (mg/kg): 2211-2649 i.v.; 7350-8861 orally (Rovati)
화학 및 산업
약리 정보
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
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.
용도 및 제조
Use ClassificationPharmaceuticals
응용 분야
개요Proglumide (Milid) is a drug that inhibits gastrointestinal motility and reduces gastric secretions. It acts as a cholecystokinin antagonist, which blocks both the CCKA and CCKB subtypes. It was used mainly in the treatment of stomach ulcers, although it has now been largely replaced by newer drugs for this application.Proglumide is a nonpeptide and orally active cholecystokinin (CCK)-A/B receptors antagonist. Proglumide selective blocks CCK’s effects in the central nervous system (CNS). Proglumide has ability to inhibit gastric secretion and to protect the gastroduodenal mucosa. Proglumide also has antiepileptic and antioxidant activities.
용도Anticholinergic.
상·하류 제품 정보
상류 원료
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