(5'α)-5'-Benzyl-8',12'-dihydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman

• 常用名: (5'α)-5'-Benzyl-8',12'-dihydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman
• 英文名: (5'α)-5'-Benzyl-8',12'-dihydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman
• CAS号: 90650-44-5
• 分子量: 599.677
• 密度: 1.5±0.1 g/cm3
• 沸点: 937.6±65.0 °C at 760 mmHg
• 分子式: C₃₃H₃₇N₅O₆
• 熔点: N/A
• 闪点: 520.8±34.3 °C

名称

• 英文名: (5'α)-5'-Benzyl-8',12'-dihydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman

物理化学性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 937.6±65.0 °C at 760 mmHg
• 分子式: C₃₃H₃₇N₅O₆
• 分子量: 599.677
• 闪点: 520.8±34.3 °C
• 精确质量: 599.274414
• PSA: 138.44000
• LogP: 3.01
• InChIKey: AHRNWGXNCFKOII-UYPVSMPXSA-N
• SMILES: CN1CC(C(=O)NC2(C)OC3(O)C4CCC(O)N4C(=O)C(Cc4ccccc4)N3C2=O)CC2c3cccc4[nH]cc(c34)CC21
• 蒸汽压: 0.0±0.3 mmHg at 25°C
• 折射率: 1.742

英文别名

• (5'|A,10|A)-9,10-Dihydro-8',12'-dihydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18-trione
• 8'-Hydroxy Dihydro Ergotamine(Mixture of Diastereomers)
• Ergotaman, 9,10-dihydro-8',12'-dihydroxy-2'-methyl-3',6',18-trioxo-5'-(phenylmethyl)-, (5'α)-
• (5'α)-5'-Benzyl-8',12'-dihydroxy-2'-methyl-3',6',18-trioxo-9,10-dihydroergotaman
• 8'-Hydroxydihydroergotamine