이펜프로딜

Ifenprodil

HCID 3689CAS 23210-56-2

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
InChIKey: UYNVMODNBIQBMV-UHFFFAOYSA-N
분자식: C21H27NO2
평균 분자량: 325.4 g/mol
단동위원소 질량: 325.2041791

이름 및 식별자

우선 이름: Ifenprodil
IUPAC: 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
현지명: 이펜프로딜
영어명: Ifenprodil
분자식: C21H27NO2
분자량: 325.45

이름 및 동의어

Ifenprodil23210-56-2Vadilex4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenolIfenprodilum4-(2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl)phenolRC 61-91DTXSID2045656RC-61-91R8OE3P6O5SNP-1204-Benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-1-piperidineethanol

이름 더 보기

이펜프로딜Ifenprodil, 10 mM in DMSO2-(4-Benzylpiperidino)-1-(4-hydroxyphenyl)-1-propanol2-(4-Benzylpiperidino)-1-(4-hydroxyphenyl)propan-1-ol1-(4-Hydroxyphenyl)-2-(4-benzylpiperidino)-1-propanol4-[2-[4-(benzyl)-1-piperidyl]-1-hydroxy-propyl]phenol4-Benzyl-α-(p-hydroxyphenyl)-β-methyl-1-piperidineethanol4-[1-Hydroxy-2-[4-(phenylmethyl)piperidin-1-yl]propyl]phenol

2-(4-Benzylpiperidino)-1-(4-hydroxyphenyl)propanolDTXCID00256561-Piperidineethanol, 4-benzyl-alpha-(p-hydroxyphenyl)-beta-methyl-alpha-(4-Hydroxyphenyl)-beta-methyl-4-(phenylmethyl)-1-piperidine ethanolRefChem:147729C04AX282-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-2-methyl-1-ethanol245-491-4

데이터베이스 식별자

CAS: 23210-56-2
PubChem CID: 3689
DTXSID: DTXSID2045656
ChEMBL: CHEMBL305187
ChEBI: CHEBI:93829
UNII: R8OE3P6O5S
EC Number: 245-491-4
Nikkaji: J11.459F

물성

구조 계산 물성

XLogP: 3.9
극성 표면적: 43.7 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 24
형식 전하: 0
복잡도: 353

물리화학적 성질

녹는점: 114 ° · 114°
끓는 점: 463.62 °C · 463.62°C (rough estimate)
밀도: 1.0825 · 1.0825 (rough estimate)
굴절률: 1.5614 · 1.5614 (estimate)
저장 조건: Store at RT
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 9.99 · 9.99±0.26(Predicted)
색상: 흰색에서 황백색까지
수용성: 15 mM · Soluble to 15 mM in water with gentle warming

안전 및 규제

안전 데이터

독성: LD50 oral in mouse: 320mg/kg

화학 및 산업

약리 정보

ATC Code · 2건

C - Cardiovascular system；C04 - Peripheral vasodilators；C04A - Peripheral vasodilators；C04AX - Other peripheral vasodilators；C04AX28 - Ifenprodil

QC - Cardiovascular system；QC04 - Peripheral vasodilators；QC04A - Peripheral vasodilators；QC04AX - Other peripheral vasodilators；QC04AX28 - Ifenprodil

MeSH Pharmacological Classification · 3건

Drugs that bind to but do not activate alpha-adrenergic receptors thereby blocking the actions of endogenous or exogenous adrenergic agonists. Adrenergic alpha-antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.

Drugs used to cause dilation of the blood vessels.

Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.