溴醋茶碱

pro_cas
96989-76-3
pro_cdbregno
CCD03028042
pro_formula
C13 H18 Br2 N2 O . C9 H10 N4 O4
pro_molWeight
616.308

basic_info

Product_Name: 溴醋茶碱
CAS: 96989-76-3
中文同义词: 溴醋茶碱
EnglishSynonyms: ACEBROPHYLLINE
pro_mdlNumber: MFCD16621057
pro_acceptors: 3
pro_donors: 3
pro_smile: Cn1c2c(c(=O)n(c1=O)C)n(cn2)CC(=O)O.c1c(cc(c(c1CN[C@@H]2CC[C@H](CC2)O)N)Br)Br
InChi: InChI=1S/C13H18Br2N2O.C9H10N4O4/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h5-6,10-11,17-18H,1-4,7,16H2;4H,3H2,1-2H3,(H,14,15)/t10-,11-;
InChiKey: InChIKey=IPUHJDQWESJTGD-PFWPSKEQSA-N

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