(3R,3aR,4aR,5R,6R,8aR,9aR)-3-[(dimethylamino)methyl]-6-hydroxy-8a-methylspiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one;(E)-but-2-enedioic acid

• 常用名: (3R,3aR,4aR,5R,6R,8aR,9aR)-3-[(dimethylamino)methyl]-6-hydroxy-8a-methylspiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one;(E)-but-2-enedioic acid
• 英文名: (3R,3aR,4aR,5R,6R,8aR,9aR)-3-[(dimethylamino)methyl]-6-hydroxy-8a-methylspiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one;(E)-but-2-enedioic acid
• CAS号: 2226729-41-3
• 分子量: 425.5
• 密度: N/A
• 沸点: N/A
• 分子式: C₂₁H₃₁NO₈
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: (3R,3aR,4aR,5R,6R,8aR,9aR)-3-[(dimethylamino)methyl]-6-hydroxy-8a-methylspiro[3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-5,2'-oxirane]-2-one;(E)-but-2-enedioic acid

物理化学性质

• 分子式: C₂₁H₃₁NO₈
• 分子量: 425.5
• InChIKey: PJORGLBDGJWULN-BZTSXMDYSA-N
• SMILES: CN(C)CC1C(=O)OC2CC3(C)CCC(O)C4(CO4)C3CC21.O=C(O)C=CC(=O)O

靶点实验

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实验名称：Drug metabolism in rat plasma assessed as (3aR,4aR,5R,6R,8aR,9aR)-6-Hydroxy-8a-methyl... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4274353

实验名称：Toxicity in C57/BL6 mouse assessed as mouse survival at 2 g/kg administered orally vi... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL4274350

实验名称：Toxicity in C57/BL6 mouse assessed as mouse survival at 1 to 5 g/kg administered oral... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL4274349

实验名称：Tmax in Sprague-Dawley rat at 30 mg/kg, iv by LC-MS/MS analysis 来源：ChEMBL 靶标：Rattus norvegicus External Id：CHEMBL4274338

实验名称：Stability in rat plasma assessed as parent compound remaining after 3 hrs by LC-MS/MS... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4274337

实验名称：Half life in Sprague-Dawley rat at 30 mg/kg, iv by LC-MS/MS analysis 来源：ChEMBL 靶标：Rattus norvegicus External Id：CHEMBL4274340

实验名称：Tmax in Sprague-Dawley rat at 150 mg/kg, po by LC-MS/MS analysis 来源：ChEMBL 靶标：Rattus norvegicus External Id：CHEMBL4274339

实验名称：Inhibition of TGF-beta1/smad3 signaling pathway in human HFL cell extract assessed as... 来源：ChEMBL 靶标：Mothers against decapentaplegic homolog 3 External Id：CHEMBL4274334

实验名称：In vivo inhibition of TGF-beta1/smad3 signaling pathway in bleomycin-induced pulmonar... 来源：ChEMBL 靶标：Mus musculus External Id：CHEMBL4274333

实验名称：Inhibition of TGF-beta1/smad3 signaling pathway in human HFL cells assessed as decrea... 来源：ChEMBL 靶标：Mothers against decapentaplegic homolog 3 External Id：CHEMBL4274336

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