4-(벤조일아미노)-5-(디프로필아미노)-5-옥소발레르산

Proglumide

HCID 178783660CAS 24485-90-3
부분 구조 검색유사 구조 찾기

기본 정보

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

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 A non-selective CCK antagonist that was used primarily for treatment of stomach ulcers, but has been replaced by newer drugs.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
현지명
4-(벤조일아미노)-5-(디프로필아미노)-5-옥소발레르산
영어명
4-(Benzoylamino)-5-(dipropylamino)-5-oxovaleric acid
분자량
0

이름 및 동의어

proglumide6620-60-64-benzamido-5-(dipropylamino)-5-oxopentanoic acidBinosideXylamidedl-proglumideMilidNulsaGastrotopicMidelidUlcutinProglumida
이름 더 보기
4-(벤조일아미노)-5-(디프로필아미노)-5-옥소발레르산4-(Benzoylamino)-5-(dipropylamino)-5-oxovaleric acid4-(Phenylcarbonylamino)-5-(N,N-dipropylamino)-5-oxopentanoic acid
XydeProglumidumPromidW-5219DTXSID7023516242 DLCR-242(+-)-4-Benzamido-N,N-dipropylglutaramic acid

데이터베이스 식별자

CAS
24485-90-3
ChEMBL
CHEMBL316561
ChEBI
CHEBI:32058
UNII
EPL8W5565D
EC Number
229-567-4
Nikkaji
J3.421E

물성

구조 계산 물성

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

실험 및 물리화학적 성질

Human DrugsPharmaceuticals
Collision Cross Section · 2건

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]

안전 및 규제

GHS 분류

GHS Classification · 3건

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 InformationStatus: Active Update: 29-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23299
Other Safety InformationIMAP assessments - Pentanoic acid, 4-(benzoylamino)-5-(dipropylamino)-5-oxo-, (.+-.)-: Human health tier I assessment
Hazard Classes and CategoriesNot Classified

화학 및 산업

약리 정보

ATC Code · 2건

A - Alimentary tract and metabolism

QA - Alimentary tract and metabolism

MeSH Pharmacological Classification · 1건

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

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