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Substance Name: 1,4,8,11,15,18,22,25-Octa-n-butoxyphthalocyanine
RN: 116453-73-7
InChIKey: KAPOSTKECKHKAP-UHFFFAOYSA-N

Note

  • Sensitizer in photodynamic therapy.

Molecular Weight

  • 1091.4
 
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Names and Synonyms

Name of Substance

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

Synonym

  • H2Pc(Obu)8

Registry Numbers

CAS Registry Number

  • 116453-73-7

System Generated Number

  • 0116453737

Structure Descriptors

InChI

1S/C64H82N8O8/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,(H2,65,66,67,68,69,70,71,72)

InChIKey

KAPOSTKECKHKAP-UHFFFAOYSA-N

Smiles

c1cc(OCCCC)c2c3[nH]c(c2c1OCCCC)nc1nc(c2c(OCCCC)ccc(OCCCC)c12)nc1[nH]c(c2c(ccc(c12)OCCCC)OCCCC)nc1c2c(OCCCC)ccc(OCCCC)c2c(n1)n3