DEQUALINIUM SALICYLATE

pro_cas
pro_cdbregno
CCD00117197
pro_formula
C30 H40 N4 . 2 C7 H5 O3
pro_molWeight
730.901

basic_info

Product_Name: DEQUALINIUM SALICYLATE
EnglishSynonyms: DEQUALINIUM SALICYLATE
pro_mdlNumber: MFCD00272136
pro_acceptors: 4
pro_donors: 2
pro_smile: Cc1cc(c2ccccc2[n+]1CCCCCCCCCC[n+]3c(cc(c4c3cccc4)N)C)N.c1ccc(c(c1)C(=O)[O-])O.c1ccc(c(c1)C(=O)[O-])O
InChi: InChI=1S/C30H38N4.2C7H6O3/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;2*8-6-4-2-1-3-5(6)7(9)10/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1-4,8H,(H,9,10)
InChiKey: InChIKey=KJKANYXQJTTYMC-UHFFFAOYSA-N

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