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Substance Name: 1-Oxo-4-(trimethylammonio)butylaminophenyl-tris(methylpyridinium)acetato-manganese-porphine tetraacetate
RN: 127617-72-5
InChIKey: OUEHLQYFCQYOMK-ACSLLGGKSA-J

Molecular Weight

  • 1154.17
 
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Names and Synonyms

  • 1-Oxo-4-(trimethylammonio)butylaminophenyl-tris(methylpyridinium)acetato-manganese-porphine tetraacetate

Registry Numbers

CAS Registry Number

  • 127617-72-5

System Generated Number

  • 0127617725

Structure Descriptors

InChI

1S/C51H48N9O.5C2H4O2.Mn/c1-57-27-21-35(22-28-57)49-41-15-13-39(53-41)48(34-9-11-38(12-10-34)52-47(61)8-7-33-60(4,5)6)40-14-16-42(54-40)50(36-23-29-58(2)30-24-36)44-18-20-46(56-44)51(45-19-17-43(49)55-45)37-25-31-59(3)32-26-37;5*1-2(3)4;/h9-32H,7-8,33H2,1-6H3;5*1H3,(H,3,4);/q+1;;;;;;+3/p-4/b48-39-,48-40-,49-41-,49-43-,50-42-,50-44-,51-45-,51-46-;;;;;;

InChIKey

OUEHLQYFCQYOMK-ACSLLGGKSA-J

Smiles

C=1c2c(c3ccc([n-]3)c(c3C=Cc(n3)c(c3ccc([n-]3)c(c(C1)n2)c1cc[n+](cc1)C)c1ccc(cc1)NC(=O)CCC[N+](C)(C)C)c1cc[n+](C)cc1)c1cc[n+](cc1)C.[Mn+3].O=C(C)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]