Magnesium Chlorophyllin, 13-98
[CAS# 15611-43-5]

Identification

• Name: Magnesium Chlorophyllin, 13-98
• Synonyms: Cuprate(3-), ((2S,3S)-18-Carboxy-20-(Carboxymethyl)-8-Ethenyl-13-Ethyl-2,3-Dihydro-3,7,12,17-Tetramethyl-21H,23H-Porphine-2-Propanoato(5-)-Kappan21,Kappan22,Kappan23,Kappan24)-, Trisodium, (Sp-4-2)-; Cuprate(3-), (18-Carboxy-20-(Carboxymethyl)-8-Ethenyl-13-Ethyl-2,3-Dihydro-3,7,12,17-Tetramethyl-21H,23H-Porphine-2-Propanoato(5-)-N21,N22,N23,N24)-, Trisodium, (Sp-4-2-(2S-Trans))-; Cuprate(3-), (18-Carboxy-20-(Carboxymethyl)-8-Ethenyl-13-Ethyl-2,3-Dihydro-3,7,12,17-Tetramethyl-21H,23H-Porphine-2-Propanoato(5-)-Kappan21,Kappan22,Kappan23,Kappan24)-, Trisodium, (Sp-4-2-(2S-Trans))-
• Molecular Formula: C₃₄H₃₁CuN₄Na₃O₆
• Molecular Weight: 724.16
• CAS Registry Number: 15611-43-5
• SMILES: N\1|6=C\4C(C(C1=C(C2=NC(=C(C2=C([O-])[O-])C)\C=C3/N(=C(C(=C3CC)C)/C=C5\[N-]\C(=C4)C(=C5C=C)C)|[Cu++]|6)\CC([O-])=O)CCC([O-])=O)C.[Na+].[Na+].[Na+]
• InChI: 1S/C34H36N4O6.Cu.3Na/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;;;/q;+2;3*+1/p-5
• InChIKey: HWDGVJUIHRPKFR-UHFFFAOYSA-I