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Merck
CN

383813

Zinc 1,4,8,11,15,18,22,25-octabutoxy-29H,31H-phthalocyanine

Synonym(s):

1,4,8,11,15,18,22,25-Octabutoxyphthalocyanine zinc salt

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About This Item

Empirical Formula (Hill Notation):
C64H80N8O8Zn
CAS Number:
107227-89-4
Molecular Weight:
1154.76
NACRES:
NA.23
PubChem Substance ID:
24863640
UNSPSC Code:
12352103
MDL number:
MFCD00192579

Key Documents

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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

SMILES string

CCCCOc1ccc(OCCCC)c2c3nc(nc4n5[Zn]n6c(n3)c7c(OCCCC)ccc(OCCCC)c7c6nc8nc(nc5c9c(OCCCC)ccc(OCCCC)c49)c%10c(OCCCC)ccc(OCCCC)c8%10)c12

InChI key

DKGNTSAYUCTYJI-UHFFFAOYSA-N

mp

185 °C (dec.) (lit.)

λmax

736 nm

Related Categories

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
00109AH
07424JE
02628KY
02125CZ

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G Jori et al.
Journal of photochemistry and photobiology. B, Biology, 43(3), 181-185 (1998-08-27)
Zn(II)-phthalocyanines (ZnPc) and its octapentyl (ZnOPPc) and octadecyl (ZnODPc) derivatives have been intravenously injected at a dose of 1.46 mumol/kg into female Balb/c mice bearing an intramuscularly transplanted MS-2 fibrosarcoma. Pharmacokinetic studies show that in all cases the maximal concentration
C Fabris et al.
Journal of photochemistry and photobiology. B, Biology, 39(3), 279-284 (1997-07-01)
Zn(II)-octapentyl-phthalocyanine (ZnOPPc), incorporated into a Cremophor oil emulsion, was found to be a highly selective tumour-targeting agent (50-fold larger concentration in the tumour than in the peritumoral tissue) when injected at a dose of 1.46 mumol (kg body weight)-1 in
W E Ford et al.
Photochemistry and photobiology, 50(3), 277-282 (1989-09-01)
Triplet-state properties of 1,4,8,11,15,18,22,25-octa-n-butoxyphthalocyanine and its zinc derivative were determined for the first time. The T1 state of the metal-free phthalocyanine was characterized by a short lifetime (tau T = 17 microseconds) and low quantum yield (phi T = 0.095)
C Ometto et al.
British journal of cancer, 74(12), 1891-1899 (1996-12-01)
1,4,8,11,15,18,22,25-Octadecylphthalocyaninato zinc(II), ZnODPc, incorporated into a Cremophor emulsion, was assayed for its pharmacokinetic and phototherapeutic properties in Balb/c mice bearing an intramuscularly transplanted MS-2 fibrosarcoma. The phthalocyanine was injected intravenously (i.v.) in three doses, i.e. 1.46, 0.73 and 0.37 mumol

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