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Substance Name: Zinc-porcellip
RN: 145247-77-4
InChIKey: JWBAOZDETSJSCN-PSQPPCRNSA-L

Note

  • A photoactivated DNA cleaver.

Molecular Formula

  • C68-H60-N10-O2-Zn.4C2-H3-O2

Molecular Weight

  • 1350.85
 
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Names and Synonyms

Results Name

  • Zinc-porcellip

Name of Substance

  • 4-((((9-Methoxyellipticin-2-yl)pentyl)carbonyl)amino)phenyl-tris(4N-methylpyridiniumyl)porphyrinato-zinc(II)tetraacetate

Synonyms

  • 9-Methoxy-5,11-dimethyl-2-(6-oxo-6-((4-(10,15,20-tris(1-methylpyridinum-4-yl)-21H,23H-porphin-5-yl)phenyl)amino)hexyl)-6H-pyrido(4,3-b)carbazoliumato))(2-)-N21,N22,N23,N24)-zinc(4+) tetraacetate
  • Zinc-porcellip
  • Zn(Por(mepy)3(Ph-nhco(CH2)5-ellip))

Systematic Name

  • Zinc(4+), 9-methoxy-5,11-dimethyl-2-(6-oxo-6-((4-(10,15,20-tris(1-methylpyridinium-4-yl)-21H,23H-porphin-5-yl)phenyl)amino)hexyl)-6H-pyrido(4,3-b)carbazoliumato(2-)-N21,N22,N23,N24)-, (SP-4-2)-, tetraacetate

Registry Numbers

CAS Registry Number

  • 145247-77-4

System Generated Number

  • 0145247774

Molecular Formulas

Molecular Formula

  • C68-H60-N10-O2-Zn.4C2-H3-O2

Molecular Formula Fragments

  • C2-H3-O2
  • C68-H60-N10-O2-Zn
  • COMPONENT

Structure Descriptors

InChI

1S/C68H58N10O2.4C2H4O2.Zn/c1-42-52-41-78(39-31-50(52)43(2)68-63(42)51-40-49(80-6)15-16-53(51)74-68)32-9-7-8-10-62(79)69-48-13-11-44(12-14-48)64-54-17-19-56(70-54)65(45-25-33-75(3)34-26-45)58-21-23-60(72-58)67(47-29-37-77(5)38-30-47)61-24-22-59(73-61)66(57-20-18-55(64)71-57)46-27-35-76(4)36-28-46;4*1-2(3)4;/h11-31,33-41H,7-10,32H2,1-6H3;4*1H3,(H,3,4);/q;;;;;+2/p-2/b64-54-,64-55-,65-56-,65-58-,66-57-,66-59-,67-60-,67-61-;;;;;

InChIKey

JWBAOZDETSJSCN-PSQPPCRNSA-L

Smiles

[Zn+2].c1(c2c(c(c3cc[n+](cc13)CCCCCC(Nc1ccc(c3c4[n-]c(c(c5cc[n+](cc5)C)c5C=Cc(c(c6[n-]c(c(c7C=Cc3n7)c3cc[n+](C)cc3)cc6)c3cc[n+](cc3)C)n5)cc4)cc1)=O)C)[nH]c1c2cc(cc1)OC)C.C(C)([O-])=O.C(C)([O-])=O.C(C)([O-])=O.C(C)([O-])=O