기본 정보
- CAS
187949-02-6- 표준 SMILES
C[C@@H](n1cnc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F- InChIKey
UHIXWHUVLCAJQL-MPBGBICISA-N- 분자식
- C20H16ClF2N5O2
- 평균 분자량
- 431.8 g/mol
- 단동위원소 질량
- 431.09605887
개요
Albaconazole has been used in trials studying the basic science of Onychomycosis.
이름 및 식별자
- 우선 이름
- Albaconazole
- IUPAC
- 7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one
- 영어명
- Albaconazole
- 분자식
- C20H16ClF2N5O2
- 분자량
- 431.82
이름 및 동의어
ALBACONAZOLE187949-02-6UR-9825AlbaconazolYDW24Y8IABW-00277-Chloro-3-((1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)quinazolin-4(3H)-one7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-oneDTXSID3058244W00274(3H)-Quinazolinone, 7-chloro-3-((1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)-4(3H)-Quinazolinone, 7-chloro-3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-
이름 더 보기
W 0027Albaconazole, UR-98257-Chloro-3-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-Methyl-3-(1H-1,2,4-triazol-1-yl)propyl]-4(3H)-quinazolinone
7-chloro-3-(2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)quinazolin-4(3H)-onealbaconazolum7-Chloro-3-((2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl)quinazolin-4-one7-chloro-3-[(1r,2r)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1h-1,2,4-triazol-1-yl)propyl]quinazolin-4(3h)-oneRefChem:553265DTXCID70320567-chloro-3-((2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)-3,4-dihydroquinazolin-4-one7-Chloro-3-((2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)quinazolin-4(3H)-one
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 83.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 673
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 녹는점
- 124 · 124-126°C
- 끓는 점
- 658.9 · 658.9±65.0 °C(Predicted)
- 밀도
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 11 · 11+-.0.29(Predicted)
- 색상
- 흰색에서 연한 노란색
화학적 성질
White to Off-White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
약리 정보
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.
응용 분야
용도An antifungal agent as neuroprotectant.
공급사25 곳
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湖北威德利化学试剂有限公司17771473825 13385289472 · [email protected]
江西瑞威尔生物科技有限公司18502762009 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
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