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Substance Name: Copper benzochlorin
RN: 145582-83-8
InChIKey: RSDZGRLHEQWQBK-KUFVBBMYSA-M

Note

  • A photosensitizer for use in photodynamic therapy.

Molecular Formula

  • C42-H52-Cu-N5.Cl

Molecular Weight

  • 725.907
 
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Names and Synonyms

Name of Substance

  • Copper benzochlorin

Synonyms

  • Cds1 photosensitizer
  • Copper(II) alpha-meso-N,N'-dimethyloctaethylbenzochlorin iminium chloride

Systematic Name

  • Copper(1+), (N-methyl-N-((5,6,10,11,15,16,22,22-octaethyl-4,7:14,17-diimino-2,21-methano-9,12-nitrilo-12H-1-benzazacyclononadecin-3-yl)methylene)methanaminivmato(2-))-, chloride, (SP-4-1)-

Registry Numbers

CAS Registry Number

  • 145582-83-8

System Generated Number

  • 0145582838

Molecular Formulas

Molecular Formula

  • C42-H52-Cu-N5.Cl

Molecular Formula Fragments

  • C42-H52-Cu-N5
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C42H52N5.ClH.Cu/c1-11-25-26(12-2)35-23-37-28(14-4)30(16-6)39(45-37)32(24-47(9)10)41-42(17-7,18-8)33-21-19-20-31(40(33)46-41)38-29(15-5)27(13-3)36(44-38)22-34(25)43-35;;/h19-24H,11-18H2,1-10H3;1H;/q-1;;+2/p-1/b34-22-,37-23-;;

InChIKey

RSDZGRLHEQWQBK-KUFVBBMYSA-M

Smiles

c12c(CC)c(CC)c(cc3nc(cc4c(c(c([n-]4)c(c4C(c5cccc1c5n4)(CC)CC)\C=[N+](/C)C)CC)CC)C(=C3CC)CC)[n-]2.[Cu+2].[ClH-]