2-[[2-乙氧基-4-(4-羟基-1-哌啶基)苯基]氨基]-5,11-二氢-5,11-二甲基-6H-嘧啶并[4,5-B][1,4]苯并二氮杂卓-6-酮

CAS号
1234480-50-2
CCD编号
CCD04206023
分子式
C26 H30 N6 O3 . C2 H F3 O2
分子量
588.584

基本信息

产品名称: 2-[[2-乙氧基-4-(4-羟基-1-哌啶基)苯基]氨基]-5,11-二氢-5,11-二甲基-6H-嘧啶并[4,5-B][1,4]苯并二氮杂卓-6-酮
CAS: 1234480-50-2
中文同义词: 2-[[2-乙氧基-4-(4-羟基-1-哌啶基)苯基]氨基]-5,11-二氢-5,11-二甲基-6H-嘧啶并[4,5-B][1,4]苯并二氮杂卓-6-酮
英文同义词: XMD8-92 ; 2-(2-ETHOXY-4-(4-HYDROXYPIPERIDIN-1-YL)PHENYLAMINO)-5,11-DIMETHYL-5H-BENZO[E]PYRIMIDO[5,4-B][1,4]DIAZEPIN-6(11H)-ONE 2,2,2-TRIFLUOROACETATE ; 6H-PYRIMIDO[4,5-B][1,4]BENZODIAZEPIN-6-ONE, 2-[[2-ETHOXY-4-(4-HYDROXY-1-PIPERIDINYL)PHENYL]AMINO]-5,11-DIHYDRO-5,11-DIMETHYL-, ACETIC ACID, 2,2,2-TRIFLUORO-(1:1) ; XMD 8-92 TRIFLUOROACETATE
MDL号: MFCD18452862
氢键受体数量: 9
氢键供体数量: 2
Smile: CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O.C(=O)(C(F)(F)F)O
InChi: InChI=1S/C26H30N6O3.C2HF3O2/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3;3-2(4,5)1(6)7/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29);(H,6,7)
InChiKey: InChIKey=VIENPZHHICPRRZ-UHFFFAOYSA-N

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