데스(2-메틸부티릴)프라바스타틴
DES(2-methylbutanoyl)pravastatin
기본 정보
- CAS
151006-03-0- 표준 SMILES
C[C@H]1C=CC2=C[C@@H](O)C[C@H](O)[C@@H]2[C@H]1CC[C@@H](O)C[C@@H](O)CC(=O)O- InChIKey
ZDADMCPDUNEBIX-CGDZNSRRSA-N- 분자식
- C18H28O6
- 평균 분자량
- 340.4 g/mol
- 단동위원소 질량
- 340.18858861
개요
(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid is a 3-hydroxy carboxylic acid that is (3R,5R)-3,5-dihydroxyheptanoic acid in which one of the methyl hydrogens is substituted by a (1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl group. It is a secondary allylic alcohol, a member of hexahydronaphthalenes and a 3-hydroxy carboxylic acid.
이름 및 식별자
- 우선 이름
- DES(2-methylbutanoyl)pravastatin
- IUPAC
- (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
- 현지명
- 데스(2-메틸부티릴)프라바스타틴
- 영어명
- Des(2-Methylbutyryl) Pravastatin
- 분자식
- C18H28O6
- 분자량
- 340.41
이름 및 동의어
151006-03-0DES(2-methylbutanoyl)pravastatinUNII-4I60PGP691(3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid4I60PGP691Pravastatin sodium specified impurity F [EP](3R,5R)-7-((1S,2S,6S,8S,8aR)-6,8-Dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)-3,5-dihydroxyheptanoic acidCHEBI:63655DTXSID801646941-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-beta,delta,6,8-tetrahydroxy-2-methyl-, (betaR,deltaR,1S,2S,6S,8S,8aR)-PRAVASTATIN SODIUM IMPURITY F [EP IMPURITY]1-NAPHTHALENEHEPTANOIC ACID, 1,2,6,7,8,8A-HEXAHYDRO-.BETA.,.DELTA.,6,8-TETRAHYDROXY-2-METHYL-, (.BETA.R,.DELTA.R,1S,2S,6S,8S,8AR)-
이름 더 보기
데스(2-메틸부티릴)프라바스타틴Pravastatin IMpurity FPravastatin Sodium EP Impurity FDes(2-methylbutyryl) Pravastatin DiscontinuedPravastatin Impurity 6（Pravastatin EP Impurity F）1-Naphthaleneheptanoic acid, 1,2,6,7,8,8a-hexahydro-β,δ,6,8-tetrahydroxy-2-methyl-, (βR,δR,1S,2S,6S,8S,8aR)-
물성
구조 계산 물성
- XLogP
- 0.1
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 500
물리화학적 성질
- 끓는 점
- 636.9 · 636.9±55.0 °C(Predicted)
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.31 · 4.31±0.10(Predicted)
화학 및 산업
응용 분야
용도Provastatin (P702000) impurity, a novel HMG-CoA reductase inhibitor.
관련 반응
2건
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