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Nickel(II) phthalocyanine-tetrasulfonic acid tetrasodium salt

Nickel(II) phthalocyanine-tetrasulfonic acid tetrasodium salt

Name: Nickel(II) phthalocyanine-tetrasulfonic acid tetrasodium salt
Brand: BOC Sciences
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Molecular Formula:

C32H12N8Na4NiO12S4

Molecular Weight:

979.40

CAS Number:

27835-99-0

Catalog Number:

27835-99-0

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+)

Canonical 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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

977.840171 g/mol

Monoisotopic Mass

977.840171 g/mol

Topological Polar Surface Area

342Å²

Heavy Atom Count

Formal Charge

Complexity

1910

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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