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Silicon Phthalocyanine 4

CAT: 0931-T28777Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28777Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
135719-28-7
Target
Others, Parasite
Related Pathways
Others, Microbiology/Virology
Bioactivity
Silicon Phthalocyanine 4 is a drug with anti-cutaneous neoplasms activity.
Smiles
[O-]([Si](CCCN(C)C)(C)C)[Si+4]123([OH-])[N-]4C=5C=6C(C4=NC7=[N]1C(=NC=8[N-]2C(=C9C8C=CC=C9)N=C%10[N]3=C(N5)C=%11C%10=CC=CC%11)C=%12C7=CC=CC%12)=CC=CC6
Molecular Formula
C39H35N9O2Si2
Molecular Weight
717.93
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Silicon phthalocyanine

Silicon Phthalocyanine 4 is a synthetic photosensitizer agent containing a large macrocyclic ring chelated with silicon. Silicon phthalocyanine 4 localizes primarily in mitochondrial cytosolic membranes and, after photoexcitation, forms reactive oxygen species that induce apoptosis.

CAS Number135719-28-7
PubChem CID119185
IUPAC Name3-[dimethyl(oxido)silyl]-N,N-dimethylpropan-1-amine;2,11,20,37,38-pentaza-39,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19,21(38),22,24,26,28,30(37),31,33,35-nonadecaene;silicon(4+);hydroxide
Molecular FormulaC40H36N8O2Si2
Molecular Weight716.9
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count52
Formal Charge0
Complexity939
SMILES
CN(C)CCC[Si](C)(C)[O-].C1=CC=C2C(=C1)C3=CC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=NC2=N3)[N-]7)C9=CC=CC=C94.[OH-].[Si+4]
InChI
InChI=1S/C33H17N7.C7H18NOSi.H2O.Si/c1-3-11-20-18(9-1)26-17-27-19-10-2-4-12-21(19)29(35-27)37-31-23-14-6-8-16-25(23)33(39-31)40-32-24-15-7-5-13-22(24)30(38-32)36-28(20)34-26;1-8(2)6-5-7-10(3,4)9;;/h1-17H;5-7H2,1-4H3;1H2;/q-2;-1;;+4/p-1
InChIKey
JACPFCQFVIAGDN-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Silicon phthalocyanine
CAS: 135719-28-7
CID: 119185
Formula: C40H36N8O2Si2
MW: 716.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight716.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass716.24997549
Monoisotopic Mass716.24997549
Topological Polar Surface Area93.8 Ų
Heavy Atom Count52
Formal Charge0
Complexity939
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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Alternative Products

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MBS5778448Silicon Phthalocyanine 4
sc-296381Silicon Phthalocyanine Dichloride
FS165343-01Silicon dihydroxyl phthalocyanine
FP62479-01Phthalocyanine Silicon Dichloride
HY-121310-01Phthalocyanine
FZ36686-01Zinc phthalocyanine
MBS3845527-01Cobalt phthalocyanine
90026998Iron phthalocyanine
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