기본 정보
- CAS
640275-14-5- 표준 SMILES
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COc1ccc(C[C@H]3SC(=O)NC3=O)cc1)O2- InChIKey
GXPHKUHSUJUWKP-NTKDMRAZSA-N- 분자식
- C24H27NO5S
- 평균 분자량
- 441.5 g/mol
- 단동위원소 질량
- 441.16099414
이름 및 식별자
- 우선 이름
- (5R)-5-(4-{[(2R)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-YL]methoxy}benzyl)-1,3-thiazolidine-2,4-dione
- IUPAC
- (5R)-5-[[4-[[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
이름 및 동의어
(5r)-5-(4-{[(2r)-6-Hydroxy-2,5,7,8-Tetramethyl-3,4-Dihydro-2h-Chromen-2-Yl]methoxy}benzyl)-1,3-Thiazolidine-2,4-Dione(5R)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione(5R)-5-((4-(((2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)-1,3-thiazolidine-2,4-dione(5R)-5-(4-(((2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHOXY)BENZYL)-1,3-THIAZOLIDINE-2,4-DIONERefChem:404399Troglitazone, (2R,5R)-(+/-)-1A70L3TM4P640275-14-5(R)-5-(4-(((R)-6-Hydroxy-2,5,7,8-tetramethylchroman-2-yl)methoxy)benzyl)thiazolidine-2,4-dione189764-83-82,4-Thiazolidinedione, 5-((4-(((2R)-3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy)phenyl)methyl)-, (5R)-rel-UNII-1A70L3TM4P
이름 더 보기
2qm9SCHEMBL21630(2R,5R)-(+/-)-troglitazoneDB08607PD004285Q27097806
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 681
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