2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid, (2-Benzyloxy-phenyl)-amide
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기본 정보
- CAS
887355-33-1- 표준 SMILES
CC(C)C(=O)C(C(=O)Nc1ccccc1OCc1ccccc1)C(C(=O)c1ccc(F)cc1)c1ccccc1- InChIKey
AAWVPWXNZXRMJI-UHFFFAOYSA-N- 분자식
- C33H30FNO4
- 평균 분자량
- 523.6 g/mol
- 단동위원소 질량
- 523.2158866
이름 및 식별자
- 우선 이름
- 2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid, (2-Benzyloxy-phenyl)-amide
- IUPAC
- 2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)pentanamide
- 영어명
- 2-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid, (2-Benzyloxy-phenyl)-amide
- 분자식
- C33H30FNO4
- 분자량
- 523.5940032
이름 및 동의어
887355-33-12-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid, (2-Benzyloxy-phenyl)-amide2-[2-(4-fluorophenyl)-2-oxo-1-phenylethyl]-4-methyl-3-oxo-N-(2-phenylmethoxyphenyl)pentanamideN-(2-(Benzyloxy)phenyl)-2-(2-(4-fluorophenyl)-2-oxo-1-phenylethyl)-4-methyl-3-oxopentanamideN-[2-(BENZYLOXY)PHENYL]-2-[2-(4-FLUOROPHENYL)-2-OXO-1-PHENYLETHYL]-4-METHYL-3-OXOPENTANAMIDESCHEMBL18051137DTXSID70442615AKOS0302557312-[2-(4-Fluorophenyl)-2-oxo-1-phenyl-ethyl]-4-methyl-3-oxo-pentanoic Acid, (2-Benzyloxy-phenyl)-amid4-Fluoro-α-(2-Methyl-1-oxopropyl)-γ-oxo-β-phenyl-N-[2-(phenylMethoxy)phenyl]benzenebutanaMideBenzenebutanamide, 4-fluoro-α-(2-methyl-1-oxopropyl)-γ-oxo-β-phenyl-N-[2-(phenylmethoxy)phenyl]-
데이터베이스 식별자
- CAS
887355-33-1- PubChem CID
- 10625867
- DTXSID
DTXSID70442615
물성
구조 계산 물성보충 중
- XLogP
- 7.2
- 극성 표면적
- 72.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 796
물리화학적 성질
- 끓는 점
- 713.2 · 713.2±60.0 °C(Predicted)
- 밀도
- 1.219 · 1.219±0.06 g/cm3(Predicted)
- 용해도
- soluble in Acetone, Chloroform, Dichloromethane, Ethyl Acetate
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 10.54 · 10.54±0.59(Predicted)
- 색상
- 연한 갈색
화학적 성질
Light Brown Solid
화학 및 산업
응용 분야
용도A intermediate of the metabolite of Atorvastin, a selective, competitive HMG-CoA reductase inhibitor. Atorvastin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.
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