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Substance Name: 2-(5-Oxo-5-(tris(methylpyridinium)acetato-manganese-porphinyl)phenylaminopentyl)ellipticine tetraacetate
RN: 127617-74-7
InChIKey: RQINXDOQXWJEGY-XOSVDZCHSA-K

Molecular Weight

  • 1385.42
 
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Names and Synonyms

  • 2-(5-Oxo-5-(tris(methylpyridinium)acetato-manganese-porphinyl)phenylaminopentyl)ellipticine tetraacetate

Registry Numbers

CAS Registry Number

  • 127617-74-7

System Generated Number

  • 0127617747

Structure Descriptors

InChI

1S/C67H56N10O2.5C2H4O2.Mn/c1-41-51-40-77(38-30-49(51)42(2)67-62(41)50-39-48(79-6)14-15-52(50)73-67)31-8-7-9-61(78)68-47-12-10-43(11-13-47)63-53-16-18-55(69-53)64(44-24-32-74(3)33-25-44)57-20-22-59(71-57)66(46-28-36-76(5)37-29-46)60-23-21-58(72-60)65(56-19-17-54(63)70-56)45-26-34-75(4)35-27-45;5*1-2(3)4;/h10-30,32-40H,7-9,31H2,1-6H3;5*1H3,(H,3,4);/q;;;;;;+3/p-3/b63-53-,63-54-,64-55-,64-57-,65-56-,65-58-,66-59-,66-60-;;;;;;

InChIKey

RQINXDOQXWJEGY-XOSVDZCHSA-K

Smiles

C1=Cc2nc1c(c1ccc(c(c3C=Cc(n3)c(c3ccc([n-]3)c2c2cc[n+](C)cc2)c2ccc(NC(=O)CCCC[n+]3ccc4c(c3)c(c3c(c4C)[nH]c4c3cc(cc4)OC)C)cc2)c2cc[n+](C)cc2)[n-]1)c1cc[n+](cc1)C.[Mn+3].O=C(C)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]