Nickel(II) phthalocyanine-tetrasulfonic acid tetrasodium salt
Product Information
Molecular Formula
C32H12N8Na4NiO12S4
Molecular Weight
979.40
Description
Nickel(II) phthalocyanine-tetrasulfonic acid tetrasodium salt is a vital compound used in the biomedical industry. It exhibits promising applications as a photosensitizer in photodynamic therapy, particularly for the treatment of cancerous tumors. Its unique chemical structure allows it to generate reactive oxygen species upon light activation, effectively eliminating cancer cells.
Synonyms
Phthalocyanine-tetrasulfonic acid Nickel(II) complex tetrasodium salt
IUPAC Name
tetrasodium2,11,20,29,38,40-hexaza-37,39-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3(40),4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene-6,15,24,34-tetrasulfonatenickel(2+)
SMILES
C1=CC2=C(C=C1S(=O)(=O)[O-])C3=NC4=NC(=NC5=C6C=C(C=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)S(=O)(=O)[O-])C(=N7)N=C2[N-]3)S(=O)(=O)[O-])C9=C4C=C(C=C9)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Ni+2]
InChI
InChI=1S/C32H16N8O12S4.4Na.Ni/c41-53(42,43)13-1-5-17-21(9-13)29-34-25(17)33-26-18-6-2-15(55(47,48)49)11-23(18)31(35-26)40-32-24-12-16(56(50,51)52)4-8-20(24)28(39-32)38-30-22-10-14(54(44,45)46)3-7-19(22)27(36-29)37-30/h1-12H,(H4-2,33,34,35,36,37,38,39,40,41,42,43,44,45,46,47,48,49,50,51,52)/q-24*+1+2/p-4
InChI Key
UAMQBHBCNOEWGQ-UHFFFAOYSA-J
Flash Point
Not applicable
Safety Information
Hazards
H317
Precautionary Statement
P280
Computed Properties
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
20
Rotatable Bond Count
0
Exact Mass
977.840171 g/mol
Monoisotopic Mass
977.840171 g/mol
Topological Polar Surface Area
342Ų
Heavy Atom Count
61
Formal Charge
0
Complexity
1910
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
6
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| KR-20220004396-A | Phthalocyanine-Molybdenum Sulfide Nanosheets and Preparation Method Thereof | 2020-07-03 |
| US-2021305560-A1 | Method and system for aromatic macrocyclic compounds (phthalocyanines) as cathode additives for inhibition of transition metal dissolution and stable solid electrolyte interphase formation | 2020-03-27 |
| WO-2021194743-A1 | Method and system for aromatic macrocyclic compounds (phthalocyanines) as cathode additives for inhibition of transition metal dissolution and stable solid electrolyte interphase formation | 2020-03-27 |
| WO-2019236974-A1 | Systems, devices, and methods for gas sensing | 2018-06-08 |
| EP-3803365-A1 | Systems, devices, and methods for gas sensing | 2018-06-08 |
| US-2021247356-A1 | Systems, devices, and methods for gas sensing | 2018-06-08 |
| CN-108615867-A | A kind of organic macromolecule negative material and preparation method thereof for secondary cell | 2018-05-04 |
| US-2019154571-A1 | Verification of the quality of a liquid using a quality-sensing bottle cap | 2017-11-17 |
| US-10794822-B2 | Verification of the quality of a liquid using a quality-sensing bottle cap | 2017-11-17 |
| CA-3078381-A1 | Retroreflectors providing information encoded in reflected non-visible laser while retaining visible light safety properties | 2017-10-06 |
