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Cobalt protoporphyrin IX

CAT: 0931-T78623-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T78623-01Size:1 mg
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CAS Number
14325-03-2
Target
ROS, Reactive Oxygen Species, Influenza Virus
Related Pathways
Immunology/Inflammation, NF-κB, Microbiology/Virology, Metabolism
Bioactivity
Cobalt Protoporphyrin IX serves as a potent, specific inducer of heme oxygenase-1 (HO-1) and demonstrates broad-spectrum antiviral effects against Influenza A virus (IAV) [1].
Smiles
C(CC([O-])=O)C=1C=2[N-]3[Co+2]45[N]6=C(C2)C(CCC([O-])=O)=C(C)C6=CC=7[N-]4C(C=C8[N]5=C(C=C3C1C)C(C=C)=C8C)=C(C=C)C7C.[H+].[H+]
Molecular Formula
C34H32CoN4O4
Molecular Weight
619.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cobalt protoporphyrin

See also: Cobalt protoporphyrin IX (annotation moved to).

CAS Number14325-03-2
PubChem CID108007
IUPAC Name3-[18-(2-carboxylatoethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate;cobalt(2+);hydron
Molecular FormulaC34H32CoN4O4
Molecular Weight619.6
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count43
Formal Charge0
Complexity1570
SMILES
[H+].[H+].CC1=C(C2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C=C)C)C=C)C)C(=C3CCC(=O)[O-])C)CCC(=O)[O-].[Co+2]
InChI
InChI=1S/C34H34N4O4.Co/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,35,36,37,38,39,40,41,42);/q;+2/p-2
InChIKey
AQTFKGDWFRRIHR-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Cobalt protoporphyrin
CAS: 14325-03-2
CID: 108007
Formula: C34H32CoN4O4
MW: 619.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight619.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass619.175549
Monoisotopic Mass619.175549
Topological Polar Surface Area107 Ų
Heavy Atom Count43
Formal Charge0
Complexity1570
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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