XAC HCL

pro_cas
96865-92-8
pro_cdbregno
CCD03970455
pro_formula
C21 H28 N6 O4 . Cl H
pro_molWeight
464.951

basic_info

Product_Name: XAC HCL
CAS: 96865-92-8
EnglishSynonyms: XAC HCL ; XANTHINE AMINE CONGENER HCL
pro_mdlNumber: MFCD18086858
pro_acceptors: 10
pro_donors: 3
pro_smile: CCCn1c2c(c(=O)n(c1=O)CCC)[nH]c(n2)c3ccc(cc3)OCC(=O)NCCN.Cl
InChi: InChI=1S/C21H28N6O4.ClH/c1-3-11-26-19-17(20(29)27(12-4-2)21(26)30)24-18(25-19)14-5-7-15(8-6-14)31-13-16(28)23-10-9-22;/h5-8H,3-4,9-13,22H2,1-2H3,(H,23,28)(H,24,25);1H
InChiKey: InChIKey=IVOSTHCDPHGPAS-UHFFFAOYSA-N

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