7-(3-((2-HYDROXY-2-(4-HYDROXY-3,5-XYLYL)ETHYL)AMINO)BUTYL)THEOPHYLLINE

CAS号
62401-93-8
CCD编号
CCD00239708
分子式
C21 H29 N5 O4
分子量
415.491

基本信息

产品名称: 7-(3-((2-HYDROXY-2-(4-HYDROXY-3,5-XYLYL)ETHYL)AMINO)BUTYL)THEOPHYLLINE
CAS: 62401-93-8
英文同义词: 7-(3-((2-HYDROXY-2-(4-HYDROXY-3,5-XYLYL)ETHYL)AMINO)BUTYL)THEOPHYLLINE
MDL号: MFCD01682223
氢键受体数量: 9
氢键供体数量: 3
Smile: Cc1cc(cc(c1O)C)C(CNC(C)CCn2cnc3c2c(=O)n(c(=O)n3C)C)O
InChi: InChI=1S/C21H29N5O4/c1-12-8-15(9-13(2)18(12)28)16(27)10-22-14(3)6-7-26-11-23-19-17(26)20(29)25(5)21(30)24(19)4/h8-9,11,14,16,22,27-28H,6-7,10H2,1-5H3
InChiKey: InChIKey=OTNZSMZWKRIOER-UHFFFAOYSA-N

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