FLUORESCEIN METHOTREXATE, TRIAMMONIUM SALT

pro_cas
pro_cdbregno
CCD00136173
pro_formula
C40H43N11O10
pro_molWeight
837.847

basic_info

Product_Name: FLUORESCEIN METHOTREXATE, TRIAMMONIUM SALT
EnglishSynonyms: FLUORESCEIN METHOTREXATE, TRIAMMONIUM SALT ; METHOTREXATE, FLUORESCEIN, TRIAMMONIUM SALT
pro_mdlNumber: MFCD00467762
pro_acceptors: 13
pro_donors: 3
pro_smile: [NH4+].[NH4+].[NH4+].OC1=CC2=C(C=C1)C(=C1C=CC(=O)C=C1O2)C1=C(C=CC=C1)C([O-])=O.CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)N[C@@H](CCC([O-])=O)C([O-])=O
InChi: InChI=1S/C20H22N8O5.C20H12O5.3H3N/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;;;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);1-10,21H,(H,23,24);3*1H3/t13-;;;;/m0..../s1
InChiKey: InChIKey=BZIRXWPGRJBRRL-AHJYMZSGSA-N

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