P-하이드록시아토르바스타틴락톤
p-Hydroxyatorvastatin lactone
기본 정보
- CAS
163217-70-7- 표준 SMILES
CC(C)c1c(C(=O)Nc2ccc(O)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1- InChIKey
KDJMDZSAAFACAM-KAYWLYCHSA-N- 분자식
- C33H33FN2O5
- 평균 분자량
- 556.6 g/mol
- 단동위원소 질량
- 556.23735032
개요
P-Hydroxyatorvastatin lactone is a member of pyrroles.
이름 및 식별자
- 우선 이름
- p-Hydroxyatorvastatin lactone
- IUPAC
- 5-(4-fluorophenyl)-1-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-N-(4-hydroxyphenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
- 현지명
- P-하이드록시아토르바스타틴락톤
- 영어명
- P-HYDROXY ATORVASTATIN LACTONE
- 분자식
- C33H33FN2O5
- 분자량
- 556.62
이름 및 동의어
P-HYDROXYATORVASTATIN LACTONEp-Hydroxy atorvastatin lactoneUNII-1316I46GEX1316I46GEXDTXSID90167535(2R-Trans)-5-(4-fluorophenyl)-2-(1-methylethyl)-N-(4-hydroxyphenyl)-4-phenyl-1-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)-ethyl)-1H-pyrrole-3-carboxamide1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-(1-methylethyl)-4-phenyl-1-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-(1-methylethyl)-4-phenyl-1-(2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-, (2R-trans)-(2R-trans)-5-(4-fluorophenyl)-2-(1-methylethyl)-N-(4-hydroxyphenyl)-4-phenyl-1-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)-ethyl]-1H-pyrrole-3-carboxamide1H-Pyrrole-3-carboxamide, 5-(4-fluorophenyl)-N-(4-hydroxyphenyl)-2-(1-methylethyl)-4-phenyl-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-RefChem:169327DTXCID7090026
이름 더 보기
P-하이드록시아토르바스타틴락톤Atorvastatin Impurity 1084-Hydroxy Atorvastatin Lactone (EP)p-Hydroxyatorvastatin lactone (Standard)
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 101 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 866
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Metabolite of Atorvastatin
물리화학적 성질
- 녹는점
- 103 · 103-106°C
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- DMSO: Soluble; Methanol: Slightly soluble
- 물리적 상태
- 고체
화학적 성질
Pale-Yellow to Tan Solid
화학 및 산업
응용 분야
용도A 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
관련 반응
1건
화합물 노트
불러오는 중…