(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(4-methyl-3-((5-phenylthiophen-2-yl)methyl)phenyl)tetrahydro-2H-pyran-3,4,5-triol
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基本情報
- CAS
842133-16-8- 標準SMILES
Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccccc2)s1- InChIKey
ALPBUBXAMCHQTN-ZXGKGEBGSA-N- 分子式
- C24H26O5S
- 平均分子量
- 426.5 g/mol
- 単同位体質量
- 426.1500951
名称と識別子
- 優先名称
- (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(4-methyl-3-((5-phenylthiophen-2-yl)methyl)phenyl)tetrahydro-2H-pyran-3,4,5-triol
- IUPAC
- (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-methyl-3-[(5-phenylthiophen-2-yl)methyl]phenyl]oxane-3,4,5-triol
- 英語名
- D-Glucitol, 1,5-anhydro-1-C-[4-Methyl-3-[(5-phenyl-2-thienyl)Methyl]phenyl]-, (1S)-
- 分子式
- C24H26O5S
- 分子量
- 426.53
名称と別名
842133-16-8Defluoro-Canagliflozin(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(4-methyl-3-((5-phenylthiophen-2-yl)methyl)phenyl)tetrahydro-2H-pyran-3,4,5-triolDesfluoro CanagliflozinCanagliflozin impurity ACanagliflozin desfluoro impurityD-Glucitol, 1,5-anhydro-1-C-[4-methyl-3-[(5-phenyl-2-thienyl)methyl]phenyl]-, (1S)-G2X6T2GQ6S(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[4-methyl-3-[(5-phenylthiophen-2-yl)methyl]phenyl]oxane-3,4,5-triolCanagliflozin Defluoro Impurity1S)-1,5-Anhydro-1-C-(4-methyl-3-((5-phenyl-2-thienyl)methyl)phenyl)-D-glucitolD-Glucitol, 1,5-anhydro-1-C-(4-methyl-3-((5-phenyl-2-thienyl)methyl)phenyl)-, (1S)-
名称をさらに表示
DESFLUORO CAGLIFLOZIN(1S)-1,5-Anhydro-1-C-[4-methyl-3-[(5-phenyl-2-thienyl)methyl]phenyl]-D-glucitolDesfluoro CanagliflozinQ: What is Desfluoro Canagliflozin Q: What is the CAS Number of Desfluoro Canagliflozin Q: What is the storage condition of Desfluoro Canagliflozin Q: What are the applications of Desfluoro Canagliflozin
物性
構造計算による物性補完中
- XLogP
- 3.1
- 極性表面積
- 118 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 6
- 回転可能結合数
- 5
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 542
物理化学的性質
- 沸点
- 645.1 · 645.1±55.0 °C(Predicted)
- 比重(密度)
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 13.34 · 13.34±0.70(Predicted)
化学と産業
応用分野
使用Defluoro-Canagliflozin is an impurity of Canagliflozin (C175190), a sodium/glucose cotransporter 2 (SGLT2) inhibitor. Canagliflozin has been shown to dose dependently reduce calculated renal threshold for glucose excretion and increase urinary glucose excretion. Canagliflozin is a candidate for the treatment of type 2 diabetes and obesity.
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