기본 정보
- CAS
101931-00-4- 표준 SMILES
CCc1ccc(C(O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1- InChIKey
RMTFRGFLVHAYCI-UHFFFAOYSA-N- 분자식
- C19H20N2O4S
- 평균 분자량
- 372.4 g/mol
- 단동위원소 질량
- 372.11437812
이름 및 식별자
- 우선 이름
- 5-(4-(2-(5-Ethylpyridin-2-yl)-2-hydroxyethoxy)benzyl)thiazolidine-2,4-dione
- IUPAC
- 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
- 현지명
- 하이드록시피오글리타존(M-II)(부분입체이성질체의혼합물)
- 영어명
- Hydroxy Pioglitazone (M-II) (Mixture of Diastereomers)
- 분자식
- C19H20N2O4S
- 분자량
- 372.44
이름 및 동의어
101931-00-45-(4-(2-(5-ethylpyridin-2-yl)-2-hydroxyethoxy)benzyl)thiazolidine-2,4-dione5-[[4-[2-(5-ethylpyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione2-HydroxypioglitazonePioglitazone M2 MetaboliteM77TY40AOT5-({4-[2-(5-ETHYLPYRIDIN-2-YL)-2-HYDROXYETHOXY]PHENYL}METHYL)-1,3-THIAZOLIDINE-2,4-DIONE2,4-Thiazolidinedione, 5-((4-(2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy)phenyl)methyl)-5-((4-(2-(5-Ethyl-2-pyridinyl)-2-hydroxyethoxy)phenyl)methyl)-2,4-thiazolidinedione5-[[4-[2-(5-Ethyl-2-pyridinyl)-2-hydroxy-ethoxy]phenyl]methyl]-2,4-thiazolidinedioneHYDROXY PIOGLITAZONE (M-II)5-[4-[2-(5-ethyl-2-pyridyl)-2-hydroxyethoxy]benzyl]-2,4-thiazolidinedione
이름 더 보기
하이드록시피오글리타존(M-II)(부분입체이성질체의혼합물)Pioglitazone Impurity 16Pioglitazone Hydroxy M-IIPioglitazone, hydroxyl M-IIPaliperidone Impurity-J(isonipecotic acid)Hydroxy Pioglitazone-d4 (M-II) (deuterated)
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 114 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 496
물리화학적 성질
- 녹는점
- 125 · 125-140 (sub)
- 저장 조건
- -20 °C · -20°C Freezer
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 옅은 베이지까지
- InChI
- InChI=1S/C19H20N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,16-17,22H,2,9,11H2,1H3,(H,21,23,24)
- InChIKey
- RMTFRGFLVHAYCI-UHFFFAOYSA-N
- SMILES
- S1C(CC2=CC=C(OCC(C3=NC=C(CC)C=C3)O)C=C2)C(=O)NC1=O
화학적 성질
White Solid
화학 및 산업
약리 정보
Metabolism/Metabolites5-({4-[2-(5-ethylpyridin-2-yl)-2-hydroxyethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione is a known human metabolite of Pioglitazone.
응용 분야
용도A metabolite of Pioglitazone (P471000).
상·하류 제품 정보
하류 제품
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