Proglumide

ProM · kxm · xyde · 242dl · cr242 · milid · nulsa · w5219

식별자 및 물리적 특성

CAS No.	6620-60-6
분자식	C18H26N2O4
평균 분자량	334.4 g/mol
단동위원소 질량	334.18925731 g/mol
SMILES	CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1
InChIKey	DGMKFQYCZXERLX-UHFFFAOYSA-N
PubChem CID	4922
ChEMBL	CHEMBL316561
ChEBI	CHEBI:32058
EC No.	229-567-4
DTXSID	DTXSID7023516

화학 및 물리적 성질

XLogP	2.4
극성 표면적	86.7
수소 결합 공여자 수	2
수소 결합 수용자 수	4
회전 가능 결합 수	10
무거운 원자 수	24
형식 전하	0
복잡도	413
Human Drugs	Pharmaceuticals
Collision Cross Section	181.1 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]186.48 Å² [M+K]+ [CCS Type: TW
녹는점	148-150°C
끓는 점	471.21°C (rough estimate)
밀도	1.1944 (rough estimate)
굴절률	1.5700 (estimate)
저장 조건	Keep in dark place,Sealed in dry,Room Temperature
용해도	DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태	고체
pKa(산도 계수)	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	C(O)(=O)CCC(NC(=O)C1=CC=CC=C1)C(N(CCC)CCC)=O
EPA	Pentanoic acid, 4-(benzoylamino)-5-(dipropylamino)-5-oxo- (6620-60-6)

화학적 성질

White Solid

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
규제 정보	REACH registered substance: Proglumide (EC: 229-567-4)
기타 안전 정보	IMAP assessments - Pentanoic acid, 4-(benzoylamino)-5-(dipropylamino)-5-oxo-, (.+-.)-: Human health tier I assessment
Hazard Classes and Categories	Not Classified
독성	LD50 in mice (mg/kg): 2211-2649 i.v.7350-8861 orally (Rovati)

용도

개요

Proglumide (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.

용도

Anticholinergic.