基本情報
- CAS
1430738-28-5- 標準SMILES
C=CCOC(=O)N1c2cc(O)c(OC)cc2C(=O)N2C=C(C)C[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C- InChIKey
GQLNVCDDBLGRFD-AVRDEDQJSA-N- 分子式
- C24H34N2O6Si
- 平均分子量
- 474.6 g/mol
名称と識別子
- 優先名称
- Allyl (11S,11aS)-11-((tert-butyldimethylsilyl)oxy)-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate
- IUPAC
- prop-2-enyl (6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-methoxy-8-methyl-11-oxo-6a,7-dihydro-6H-pyrrolo[2,1-c][1,4]benzodiazepine-5-carboxylate
- 英語名
- 1H-Pyrrolo[2,1-c][1,4]benzodiazepine-10(5H)-carboxylic acid, 11-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-11,11a-dihydro-8-hydroxy-7-methoxy-2-methyl-5-oxo-, 2-propen-1-yl ester, (11S,11aS)-
- 分子式
- C24H34N2O6Si
- 分子量
- 474.62
名称と別名
1430738-28-5Allyl (11S,11aS)-11-((tert-butyldimethylsilyl)oxy)-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylateAllyl (11S,11aS)-11-[(tert-Butyldimethylsilyl)oxy]-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylateSCHEMBL15691377SCHEMBL30443130GQLNVCDDBLGRFD-AVRDEDQJSA-NEX-A12428EMFCD34470936SY367714CS-0140233F82771F619224
名称をさらに表示
PBD Intermediate (28-5)1H-Pyrrolo[2,1-c][1,4]benzodiazepine-10(5H)-carboxylic acid, 11-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-11,11a-dihydro-8-hydroxy-7-methoxy-2-methyl-5-oxo-, 2-propen-1-yl ester, (11S,11aS)-
(11 S,11aS)-allyl 11-((tert-butyldimethylsilyl)oxy)-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate(11S,11aS)-allyl 11-((tert-butyldimethylsilyl)oxy)-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10 (5H)-carboxylate(11S,11aS)-allyl 11-((tert-butyldimethylsilyl)oxy)-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate1H-Pyrrolo[2,1-c][1,4]benzodiazepine-10(5H)-carboxylic acid, 11-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-11,11a-dihydro-8-hydroxy-7-methoxy-2-methyl-5-oxo-, 2-propen-1-yl esterAllyl(11S,11aS)-11-((tert-butyldimethylsilyl)oxy)-8-hydroxy-7-methoxy-2-methyl-5-oxo-11,11a-dihydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-10(5H)-carboxylate
物性
構造計算による物性
- 極性表面積
- 88.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 7
- 重原子数
- 33
- 形式電荷
- 0
- 複雑度
- 807
物理化学的性質
- 沸点
- 580.7 · 580.7±50.0 °C(Predicted)
- 比重(密度)
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- 貯蔵温度
- 2 · 2-8°C, protect from light, stored under nitrogen
- 酸解離定数(Pka)
- 7.95 · 7.95±0.60(Predicted)
化学と産業
サプライヤー11 社
荟达医药科技(上海)有限公司15173502222 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海福来伊得医药科技有限公司13382092506 15312065189 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
合肥分子方舟生物科技有限公司18815611055 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海梅凯科技有限公司15300790979 18964014359 · [email protected]
Huida Pharmaceutical Technology (Shanghai) Co., Ltd.+86-13601750004 · [email protected]
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