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Substance Name: Zinc 1,4,8,11,15,18,22,25-octa-n-butoxyphthalocyanine
RN: 107227-89-4
InChIKey: DKGNTSAYUCTYJI-UHFFFAOYSA-N

Note

  • Sensitizer in photodynamic therapy; tumour-localizing and tumour-photosensitizing properties of zinc(II)-octapentyl-phthalocyanine.

Molecular Formulas

  • C64-H80-Cu-N8-O8-Zn
  • C64-H80-N8-O8-Zn

Molecular Weight

  • 1154.774
 
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Names and Synonyms

Name of Substance

  • Zinc 1,4,8,11,15,18,22,25-octa-n-butoxyphthalocyanine

Synonyms

  • (SP-4-1)-(1,4,8,11,15,18,22,25-Octabutoxy-29H,31H-phtalocyaninato(2-)-N29,N30,N31,N32)zinc
  • Zinc(II)-octapentyl-phthalocyanine
  • Zn-H2Pc(Obu)8
  • Znoppc

Systematic Name

  • Zinc, (1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phtalocyaninato(2-)-N29,N30,N31,N32)-, (SP-4-1)-

Registry Numbers

CAS Registry Number

  • 107227-89-4

System Generated Number

  • 0107227894

Structure Descriptors

InChI

1S/C64H80N8O8.Zn/c1-9-17-33-73-41-25-26-42(74-34-18-10-2)50-49(41)57-65-58(50)70-60-53-45(77-37-21-13-5)29-30-46(78-38-22-14-6)54(53)62(67-60)72-64-56-48(80-40-24-16-8)32-31-47(79-39-23-15-7)55(56)63(68-64)71-61-52-44(76-36-20-12-4)28-27-43(75-35-19-11-3)51(52)59(66-61)69-57;/h25-32H,9-24,33-40H2,1-8H3;/q-2;+2

InChIKey

DKGNTSAYUCTYJI-UHFFFAOYSA-N

Smiles

CCCCOc1c2c3/nc/4\nc(/nc/5\[n-]/c(n\c-6n/c(n\c(c2c(cc1)OCCCC)[n-]3)/c7c6c(ccc7OCCCC)OCCCC)/c8c5c(ccc8OCCCC)OCCCC)-c9c4c(ccc9OCCCC)OCCCC.[Zn+2]