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Substance Name: Bis(di-isobutyloctadecylsiloxy)silicon 2,3-naphthalocyanine
RN: 133063-13-5
InChIKey: CTZCIINFSBLHAS-UHFFFAOYSA-N

Note

  • Used for tumor therapy.

Molecular Formula

  • C100-H134-N8-O2-Si3

Molecular Weight

  • 1564.4706
 
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Names and Synonyms

Name of Substance

  • Bis(di-isobutyloctadecylsiloxy)silicon 2,3-naphthalocyanine

Synonyms

  • Bis(di-isobutyloctadecylsiloxy)-2,3-naphthalocyanato silicon
  • Iso-bosinc

Systematic Name

  • Silicon, bis(bis(2-methylpropyl)octadecylsilanolato)(37H,39H-tetranaphtho(2,3-b:2',3'-g:2'',3''-l:2''',3'''-q)porphyrazinato(2-)-N37,N38,N39,N40)-, (OC-6-12)-

Registry Numbers

CAS Registry Number

  • 133063-13-5

System Generated Number

  • 0133063135

Structure Descriptors

InChI

1S/C48H24N8.2C26H55OSi.Si/c1-2-10-26-18-34-33(17-25(26)9-1)41-49-42(34)54-44-37-21-29-13-5-6-14-30(29)22-38(37)46(51-44)56-48-40-24-32-16-8-7-15-31(32)23-39(40)47(52-48)55-45-36-20-28-12-4-3-11-27(28)19-35(36)43(50-45)53-41;2*1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(27,23-25(2)3)24-26(4)5;/h1-24H;2*25-26H,6-24H2,1-5H3;/q-2;2*-1;+4

InChIKey

CTZCIINFSBLHAS-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC[Si]([O-])(CC(C)C)CC(C)C.CCCCCCCCCCCCCCCCCC[Si]([O-])(CC(C)C)CC(C)C.c1cc2c(cc3c4/nc/5\nc(/nc/6\[n-]/c(n\c-7n/c(n\c(c3c2)[n-]4)/c8c7cc9c(c8)cccc9)/c2c6cc3c(c2)cccc3)-c2c5cc3c(c2)cccc3)cc1.[Si+4]