FeTPPS, peroxynitrite decomposition catalyst and scavenger

Key facts

CAS number

90384-82-0

Purity

>95%

Form

Solid

form

Molecular weight

1024.27 g/mol

Molecular formula

Fe(C₄₄H₂₈N₄O₁₂S₄)Cl

Nature

Synthetic

Solubility

Soluble in water

Biological description

Selective peroxynitrite decomposition catalyst and scavenger (EC₅₀ = 5 μM). Active in vivo and in vitro.

Canonical smiles

O=S(=O)(O)C1CCC(CC1)C8C4C=CC3=C(C2=NC(C=C2)=C(C5CCC(N5[FE+]N34)C(C6CCC(CC6)S(=O)(=O)O)C7C=CC8N7)C9CCC(CC9)S(=O)(=O)O)C%10CCC(CC%10)S(=O)(=O)O

InChi

InChI=1S/C44H28N4O12S4.Fe/c49-61(50,51)29-9-1-25(2-10-29)41-33-17-19-35(45-33)42(26-3-11-30(12-4-26)62(52,53)54)37-21-23-39(47-37)44(28-7-15-32(16-8-28)64(58,59)60)40-24-22-38(48-40)43(36-20-18-34(41)46-36)27-5-13-31(14-6-27)63(55,56)57;/h1-24H,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);/q-2;+3/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;

InChiKey

ZETLZMJYAVSGMY-DAJBKUBHSA-N

IUPAC Name

5,10,15,20-Tetrakis(4-sulfonatophenyl)-21H,23H-porphyrin iron (III) chloride