CAS 84581-15-7
:21H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-, trisodium salt, (7S,8S)-
Description:
The chemical substance known as 21H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-, trisodium salt, (7S,8S)-, with CAS number 84581-15-7, is a complex porphyrin derivative. This compound features multiple functional groups, including carboxylic acids and an ethenyl group, which contribute to its solubility and reactivity. As a trisodium salt, it is likely to be highly soluble in water, making it suitable for various biological and chemical applications. The presence of multiple carboxylate groups suggests potential for chelation with metal ions, which is a characteristic feature of porphyrins, often utilized in biological systems, such as hemoglobin and chlorophyll. The stereochemistry indicated by the (7S,8S) designation suggests specific spatial arrangements of atoms, which can influence the compound's biological activity and interactions. Overall, this substance may have applications in fields such as biochemistry, medicine, and materials science, particularly in areas involving metal coordination and photodynamic therapy.
Formula:C34H34N4O7·3Na
InChI:InChI=1S/C34H34N4O7.3Na/c1-6-18-15(3)23-11-24-16(4)20(8-9-29(40)41)32(37-24)21(10-30(42)43)33-31(34(44)45)17(5)25(38-33)12-27-19(7-2)22(14-39)28(36-27)13-26(18)35-23;;;/h6,11-14,16,20,35,38H,1,7-10H2,2-5H3,(H,40,41)(H,42,43)(H,44,45);;;/b23-11?,24-11-,25-12-,26-13?,27-12?,28-13-,32-21?,33-21-;;;/t16-,20-;;;/m0.../s1
InChI key:InChIKey=SJWNXNBGACMLTN-PSIPYCCASA-N
SMILES:C(C(O)=O)C1=C2[C@@H](CCC(O)=O)[C@H](C)C(=N2)C=C3NC(C(C=C)=C3C)=CC4=NC(=CC=5NC1=C(C(O)=O)C5C)C(CC)=C4C=O.[Na]
Synonyms:- 21H,23H-Porphine-7-propanoic acid, 3-carboxy-5-(carboxymethyl)-13-ethenyl-18-ethyl-17-formyl-7,8-dihydro-2,8,12-trimethyl-, trisodium salt, (7S,8S)-
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