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CAS 65207-12-7

:

(12S,13S,17S,18S)-2,8,13,18-Tetrakis(carboxymethyl)-12,13,17,18-tetrahydro-13,18-dimethyl-21H,22H-porphine-3,7,12,17-tetrapropanoic acid

Description:
The chemical substance known as "(12S,13S,17S,18S)-2,8,13,18-Tetrakis(carboxymethyl)-12,13,17,18-tetrahydro-13,18-dimethyl-21H,22H-porphine-3,7,12,17-tetrapropanoic acid," with the CAS number 65207-12-7, is a complex porphyrin derivative. Porphyrins are characterized by their large, cyclic structures composed of four pyrrole rings interconnected by methine bridges, which can coordinate with metal ions, making them significant in biological systems, particularly in hemoglobin and chlorophyll. This specific compound features multiple carboxymethyl groups, enhancing its solubility in aqueous environments and potentially increasing its reactivity and interaction with biological molecules. The presence of tetrahydro and dimethyl groups suggests modifications that may influence its electronic properties and steric hindrance. Such porphyrin derivatives are often studied for their applications in photodynamic therapy, as they can absorb light and produce reactive oxygen species, making them useful in cancer treatment and other therapeutic areas. Additionally, their ability to form complexes with various metal ions allows for diverse applications in catalysis and materials science.
Formula:C42H46N4O16
InChI:InChI=1S/C42H46N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29/h13-16,23-24,43-44H,3-12,17-18H2,1-2H3,(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)/b25-13?,26-13-,27-14?,28-15-,29-14-,30-16-,31-15?,32-16?/t23-,24-,41+,42+/m1/s1
InChI key:InChIKey=AVBHZKNQGDKVEA-KTDHJTBQSA-N
SMILES:C(CC(O)=O)[C@@H]1C=2C=C3[C@](CC(O)=O)(C)[C@H](CCC(O)=O)C(=N3)C=C4C(CC(O)=O)=C(CCC(O)=O)C(N4)=CC=5NC(C=C(N2)[C@]1(CC(O)=O)C)=C(CC(O)=O)C5CCC(O)=O
Synonyms:
  • (12S,13S,17S,18S)-2,8,13,18-Tetrakis(carboxymethyl)-12,13,17,18-tetrahydro-13,18-dimethyl-21H,22H-porphine-3,7,12,17-tetrapropanoic acid
  • Sirohydrochlorin
  • 21H,22H-Porphine-3,7,12,17-tetrapropanoic acid, 2,8,13,18-tetrakis(carboxymethyl)-12,13,17,18-tetrahydro-13,18-dimethyl-, (12S,13S,17S,18S)-
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