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Substance Name: 6H-Pyrido(4,3-b)carbazolium, 9-methoxy-5,11-dimethyl-2-(6-oxo-6-((3-(4-(10,15,20-tris(1-methylpyridinium-4-yl)-21H,23H-porphin-5-yl)phenoxy)propyl)amino)hexyl)-, zinc complex
RN: 130950-68-4
InChIKey: SPPTWEQTKQKFRX-UREJMVNASA-L

Molecular Formula

  • C71-H66-N10-O3-Zn.4C2-H3-O2

Molecular Weight

  • 1408.93
 
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Names and Synonyms

Synonym

  • 9-Methoxy-5,11-dimethyl-2-(6-oxo-6-((3-(4-(10,15,20-tris(1-methylpyridinum-4-yl)-21H,23H-porphin-5-yl)phenoxy)propyl)amino)hexyl)-6H-pyrido(4,3-b)carbazoliumato(2-)-N21,N22,N23,N24)-zinc(4+) tetraacetate

Systematic Name

  • 6H-Pyrido(4,3-b)carbazolium, 9-methoxy-5,11-dimethyl-2-(6-oxo-6-((3-(4-(10,15,20-tris(1-methylpyridinium-4-yl)-21H,23H-porphin-5-yl)phenoxy)propyl)amino)hexyl)-, zinc complex

Registry Numbers

CAS Registry Number

  • 130950-68-4

System Generated Number

  • 0130950684

Molecular Formulas

Molecular Formula

  • C71-H66-N10-O3-Zn.4C2-H3-O2

Molecular Formula Fragments

  • C2-H3-O2
  • C71-H66-N10-O3-Zn
  • COMPONENT

Structure Descriptors

InChI

1S/C71H64N10O3.4C2H4O2.Zn/c1-45-55-44-81(41-32-53(55)46(2)71-66(45)54-43-52(83-6)16-17-56(54)77-71)34-9-7-8-11-65(82)72-33-10-42-84-51-14-12-47(13-15-51)67-57-18-20-59(73-57)68(48-26-35-78(3)36-27-48)61-22-24-63(75-61)70(50-30-39-80(5)40-31-50)64-25-23-62(76-64)69(60-21-19-58(67)74-60)49-28-37-79(4)38-29-49;4*1-2(3)4;/h12-32,35-41,43-44H,7-11,33-34,42H2,1-6H3;4*1H3,(H,3,4);/q;;;;;+2/p-2/b67-57-,67-58-,68-59-,68-61-,69-60-,69-62-,70-63-,70-64-;;;;;

InChIKey

SPPTWEQTKQKFRX-UREJMVNASA-L

Smiles

C1=Cc2nc1c(c1cc[n+](cc1)C)c1ccc([n-]1)c(c1cc[n+](cc1)C)c1C=Cc(n1)c(c1[n-]c(cc1)c2c1cc[n+](cc1)C)c1ccc(OCCCNC(=O)CCCCC[n+]2cc3c(cc2)c(c2c(c3C)c3c([nH]2)ccc(c3)OC)C)cc1.[Zn+2].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]