기본 정보
- CAS
1346602-18-3- 표준 SMILES
Clc1ccc([C@@]2(Cn3ccnc3)OC[C@H](COc3ccc(N4CCNCC4)cc3)O2)c(Cl)c1- InChIKey
LOUXSEJZCPKWAX-URXFXBBRSA-N- 분자식
- C24H26Cl2N4O3
- 평균 분자량
- 489.4 g/mol
개요
RN given refers to cis-isomer
이름 및 식별자
- 우선 이름
- Deacetylketoconazole
- IUPAC
- 1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine
- 영어명
- Deacetyl Ketoconazole-d8
- 분자식
- C24H26Cl2N4O3
- 분자량
- 489.39424
이름 및 동의어
67914-61-8DeacylketoconazoleP7P4A1FD7ZDEACETYLKETOCONAZOLEPiperazine, 1-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methoxy)phenyl)-, cis-de-N-acetylketoconazoleRefChem:577286R 39519Deacetyl KetoconazoleN-DeacetylketoconazoleMFCD00872139CIS-1-[4-[[2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY]PHENYL]PIPERAZINE
이름 더 보기
Deacetyl Ketoconazole-d81-[4-[[(2R,4S)-2-(2,4-Dichlorophenyl)-2-(1H-iMidazol-1-ylMethyl)-1,3-dioxolan-4-yl]Methoxy]phenyl]-piperazine-d8
AS-6141rel-1-(4-(((2R,4S)-2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazineKETOCONAZOLE IMPURITY D [EP IMPURITY]1-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazine1-[4-[[(2RS,4SR)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazineKetoconazole EP Impurity DA1-017231-(4-(((2R,4S)-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methoxy)phenyl)piperazine
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 60.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 621
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P264, P270, P273, P280, P301+P316, P318, P319, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
화학 및 산업
응용 분야
용도Labelled Ketoconazole derivative.
공급사2 곳
凯试(上海)科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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