(2R,4R)-4-甲基-1-((S)-2-(3-甲基喹啉-8-磺胺基)-5-(3-硝基胍基)戊酰基)哌啶-2-羧酸乙酯

• 常用名: (2R,4R)-4-甲基-1-((S)-2-(3-甲基喹啉-8-磺胺基)-5-(3-硝基胍基)戊酰基)哌啶-2-羧酸乙酯
• 英文名: Argatroban-5
• CAS号: 74874-09-2
• 分子量: 577.653
• 密度: 1.4±0.1 g/cm3
• 沸点: 793.4±70.0 °C at 760 mmHg
• 分子式: C₂₅H₃₅N₇O₇S
• 熔点: N/A
• 闪点: 433.6±35.7 °C

名称

• 中文名: (2R,4R)-1-[(2S)-5-[[亚氨基(硝基氨基)甲基]氨基]-2-[[(3-甲基-8-喹啉基)磺酰基]氨基]-1-氧代戊基]-4-甲基-2-哌啶甲酸乙酯
• 英文名: ethyl (2R,4R)-1-[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(3-methylquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylate
• 中文别名: 阿加曲班-5 | 阿加曲班中间体-3

物理化学性质

• 密度: 1.4±0.1 g/cm3
• 沸点: 793.4±70.0 °C at 760 mmHg
• 分子式: C₂₅H₃₅N₇O₇S
• 分子量: 577.653
• 闪点: 433.6±35.7 °C
• 精确质量: 577.231873
• PSA: 207.78000
• LogP: 3.02
• InChIKey: DWOYDKNIEZWRDH-LSTHTHJFSA-N
• SMILES: CCOC(=O)C1CC(C)CCN1C(=O)C(CCCN=C(N)N[N+](=O)[O-])NS(=O)(=O)c1cccc2cc(C)cnc12
• 蒸汽压: 0.0±2.8 mmHg at 25°C
• 折射率: 1.653
• 储存条件: 2-8°C，避光，保存于惰性气体中

安全信息

• 危害码 (欧洲): Xi
• 安全声明 (欧洲): S22-S24/25

英文别名

• N-Nitro-1,2,3,4-tetradehydro Argatroban Ethyl Ester
• (2R,4R)-1-[(2S)-5-[[IMINO(NITROAMINO)METHYL]AMINO]-2-[[(3-METHYL-8-QUINOLINYL)SULFONYL]AMINO]-1-OXOPENTYL]-4-METHYL-2-PIPERIDINECARBOXYLIC ACID ETHYL ESTER
• [2R-[1(S*),2|A,4|A]]-1-[5-[[Imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-2-piperidinecarboxylic Acid Ethyl Ester
• MFCD08458425
• 2-Piperidinecarboxylic acid, 1-[(2S)-5-[[(1E)-amino(nitroamino)methylene]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, ethyl ester, (2R,4R)-
• Ethyl (2R,4R)-4-methyl-1-{N-[(3-methylquinolin-8-yl)sulfonyl]-N-(N-nitrocarbamimidoyl)-L-ornithyl}piperidine-2-carboxylate
• Argatroban-5
• 2-piperidinecarboxylic acid, 1-[(2S)-5-[[imino(nitroamino)methyl]amino]-2-[[(3-methyl-8-quinolinyl)sulfonyl]amino]-1-oxopentyl]-4-methyl-, ethyl ester, (2R,4R)-
• Ethyl (2R,4R)-1-{(E)-N-[amino(nitroamino)methylene]-N-[(3-methyl-8-quinolinyl)sulfonyl]-L-ornithyl}-4-methyl-2-piperidinecarboxylate