Ciprofibrate

HCID 2763CAS 52214-84-3

기본 정보

표준 SMILES: CC(C)(Oc1ccc(C2CC2(Cl)Cl)cc1)C(=O)O
InChIKey: KPSRODZRAIWAKH-UHFFFAOYSA-N
분자식: C13H14Cl2O3
평균 분자량: 289.15 g/mol
단동위원소 질량: 288.03199967

개요

Ciprofibrate is a monocarboxylic acid, an organochlorine compound and a member of cyclopropanes. It has a role as an antilipemic drug.

이름 및 식별자

우선 이름: Ciprofibrate
IUPAC: 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoic acid
영어명: Ciprofibrate
분자식: C13H14Cl2O3
분자량: 289.15

이름 및 동의어

Ciprofibrate52214-84-32-(4-(2,2-dichlorocyclopropyl)phenoxy)-2-methylpropanoic acid2-[4-(2,2-Dichlorocyclopropyl)phenoxy]-2-methylpropanoic acidCiprofibratumCiprofibratoModalimWin-35833WIN 35833DTXSID8020331Propanoic acid, 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methyl-NSC-759617

이름 더 보기

CiprobrateCiprofibric acidCipmlCiprolLipanorCiprofibrate >Ciprofibrate CRS

F8252JGO9S2-(p-(2,2-Dichlorocyclopropyl)phenoxy)-2-methylpropionic acidPropanoic acid, 2-(4-(2,2-dichlorocyclopropyl)phenoxy)-2-methyl-DTXCID20331CHEBI:50867Hyperlipen2-[p-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropionic acidRefChem:577246

데이터베이스 식별자

CAS: 52214-84-3
PubChem CID: 2763
DTXSID: DTXSID8020331
ChEMBL: CHEMBL557555
ChEBI: CHEBI:50867
UNII: F8252JGO9S
EC Number: 257-744-6
Nikkaji: J10.383G

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 333

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

Collision Cross Section171.9 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID8020331]

물리화학적 성질

녹는점: 114 · 114-116°
끓는 점: 401.74 °C · 401.74°C (rough estimate)
밀도: 1.2576 · 1.2576 (rough estimate)
굴절률: 1.5209 · 1.5209 (estimate)
저장 조건: 2 · 2-8°C
용해도: 물에 거의 녹지 않으며, 무수 에탄올에 잘 녹고, 톨루엔에 녹습니다.
산도 계수 (pKa): 3.31 · 3.31±0.10(Predicted)
물리적 상태: Solid
색상: 흰색에서 옅은 베이지까지
Merck: 14 · 14,2313
주요 응용: 제약소분자 약용
InChI: InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)
InChIKey: KPSRODZRAIWAKH-UHFFFAOYSA-N
SMILES: C(O)(=O)C(OC1=CC=C(C2CC2(Cl)Cl)C=C1)(C)C
EPA: 2 · Propanoic acid, 2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methyl- (52214-84-3)

화학적 성질

Off-White to Pale Beige Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H350 (95%): May cause cancer [Danger Carcinogenicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesCarc. 1B (95%)

독성 정보

Drug Induced Liver Injury · 4건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

ciprofibrate

DILI Positive

DOI:10.1016/j.drudis.2019.09.022

안전 데이터

wgk: 3
rtecs: UF0880000
HS 번호: 29189900
risk_code: 45
hazard_code: T
safety_code: 53-22-36/37/39-45
Hazard Classifications: Carc. 1B
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

약리 정보

ATC Code · 3건

C10AB08

C - Cardiovascular system

QC - Cardiovascular system

MeSH Pharmacological Classification · 2건

Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.

A class of nongenotoxic CARCINOGENS that induce the production of hepatic PEROXISOMES and induce hepatic neoplasms after long-term administration.

응용 분야 · 2건

개요Ciprofibrate is a potent, long-acting hypolipidemic agent related to clofibrate, bezafibrate and fenofibrate. It is effective in types IIa, IIb, IIX and IV hyperlipoproteinemias, and produces a beneficial elevation of the anti-atherogenic HDL.

용도Ciprofibrate is a hypolipemic agent, related structurally to Clofibrate (C586910). Ciprofibrate is used as an antilipemic.

상·하류 제품 정보

상류 원료

공급사50 곳

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