Isoconazole

HCID 3760
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기본 정보

CAS
27523-40-6
표준 SMILES
Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1
InChIKey
MPIPASJGOJYODL-UHFFFAOYSA-N
분자식
C18H14Cl4N2O
평균 분자량
416.1 g/mol
단동위원소 질량
413.986024

개요

1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}imidazole is a member of the class of imidazoles that carries a 2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl group at position 1. It is a dichlorobenzene, a member of imidazoles and an ether.

이름 및 식별자

우선 이름
Isoconazole
IUPAC
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
영어명
Isoconazole
분자식
C18H14Cl4N2O
분자량
416.13

이름 및 동의어

Isoconazole27523-40-6IsoconazolIsoconazolumTravogenDTXSID7045447GRI7WFR424R15454 FREE BASER-15454 FREE BASEDTXCID50254471H-Imidazole, 1-(2-(2,4-dichlorophenyl)-2-((2,6-dichlorophenyl)methoxy)ethyl)-Gyno-Travogen
이름 더 보기
Miconazole Impurity DsoconazoleIsoconazole CRSEinecs 248-508-3Miconazole EP IMP DIsoconazole USP/EP/BPVitamin B6 Impurity 105Isoconazol [inn-spanish]Miconazole EP Impurity D
1-(2-(2,4-Dichlorophenyl)-2-((2,6-dichlorophenyl)methoxy)ethyl)-1H-imidazole1-[2-(2,4-Dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-1H-imidazole1-(2-((2,6-DICHLOROBENZYL)OXY)-2-(2,4-DICHLOROPHENYL)ETHYL)-1H-IMIDAZOLE1H-Imidazole, 1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]-isoconazolo1-{2-[(2,6-dichlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole1-{2-(2,4-Dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl}-1H-imidazoleMiconazole 2,6-

데이터베이스 식별자

CAS
27523-40-6
PubChem CID
3760
DTXSID
DTXSID7045447
ChEMBL
CHEMBL1571863
ChEBI
CHEBI:83667
UNII
GRI7WFR424
EC Number
248-508-3
Nikkaji
J9.900G

물성

구조 계산 물성

XLogP
5.3
극성 표면적
27.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
6
무거운 원자 수
25

실험 및 물리화학적 성질

DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

끓는 점
555.1 · 555.1±50.0 °C(Predicted)
밀도
1.4 · 1.40±0.1 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
물에는 거의 녹지 않으며, 메탄올에는 잘 녹고, 에탄올에는 잘 녹습니다(96%).
산도 계수 (pKa)
6 · 6+-.0.12(Predicted)
주요 응용
의약품(소분자)

화학적 성질

White or almost white powder.

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 34 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAquatic Acute 1 (100%)

안전 데이터

wgk
WGK 3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

ATC Code · 5건

D01AC05

D - Dermatologicals

G - Genito urinary system and sex hormones

QD - Dermatologicals

QG - Genito urinary system and sex hormones

MeSH Pharmacological ClassificationSubstances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >10

응용 분야

용도Antibacterial; antifungal.

상·하류 제품 정보

공급사67 곳

上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

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