1-DEAZAMETHOTREXATE

pro_cas
34522-28-6
pro_cdbregno
CCD00246851
pro_formula
C21 H23 N7 O5
pro_molWeight
453.457

basic_info

Product_Name: 1-DEAZAMETHOTREXATE
CAS: 34522-28-6
EnglishSynonyms: 1-DEAZAMETHOTREXATE
pro_mdlNumber: MFCD01725214
pro_acceptors: 12
pro_donors: 5
pro_smile: CN(Cc1cnc2cc(nc(c2n1)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChi: InChI=1S/C21H23N7O5/c1-28(10-12-9-24-15-8-16(22)27-19(23)18(15)25-12)13-4-2-11(3-5-13)20(31)26-14(21(32)33)6-7-17(29)30/h2-5,8-9,14H,6-7,10H2,1H3,(H,26,31)(H,29,30)(H,32,33)(H4,22,23,27)/t14-/m0/s1
InChiKey: InChIKey=FJRKUZWBJSBJNI-AWEZNQCLSA-N

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