氯甲基甲酮甲氨蝶呤
[CAS# 83160-47-8]

基本信息

• 产品名称: 氯甲基甲酮甲氨蝶呤
• 英文名: Chloromethylketone Methotrexate
• 别名: (2S)-6-Chloro-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Oxo-Hexanoic Acid; (2S)-6-Chloro-2-[[[4-[(2,4-Diamino-6-Pteridinyl)Methyl-Methylamino]Phenyl]-Oxomethyl]Amino]-5-Oxohexanoic Acid; (2S)-6-Chloro-2-[[4-[(2,4-Diaminopteridin-6-Yl)Methyl-Methyl-Amino]Benzoyl]Amino]-5-Keto-Hexanoic Acid
• 分子式: C₂₁H₂₃ClN₈O₄
• 分子量: 486.92
• CAS 登录号: 83160-47-8
• 分子行输入简码 SMILES: [C@@H](NC(=O)C3=CC=C(N(CC2=NC1=C(N=C(N=C1N=C2)N)N)C)C=C3)(C(=O)O)CCC(=O)CCl
• 国际化学标识码 InChI: 1S/C21H23ClN8O4/c1-30(10-12-9-25-18-16(26-12)17(23)28-21(24)29-18)13-4-2-11(3-5-13)19(32)27-15(20(33)34)7-6-14(31)8-22/h2-5,9,15H,6-8,10H2,1H3,(H,27,32)(H,33,34)(H4,23,24,25,28,29)/t15-/m0/s1
• 国际化学标识检索码 InChIKey: WBHNGOGKCVORNA-HNNXBMFYSA-N