Tetrapyrroles and derivatives
Hemin (porcine), 97+%
CAS: 16009-13-5 Molecular Formula: C34H32ClFeN4O4 Molecular Weight (g/mol): 651.95 MDL Number: MFCD00010726 InChI Key: BTIJJDXEELBZFS-HXFTUNQESA-K Synonym: chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin PubChem CID: 131675604 IUPAC Name: 3-[(1Z,6Z,12Z,17Z)-5-(2-carboxyethyl)-22-chloro-15,20-diethenyl-4,10,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoic acid SMILES: CC1=C(CCC(O)=O)\C2=C\C3=C(CCC(O)=O)C(C)=C4\C=C5/N=C(/C=C6\N([Fe](Cl)N34)\C(=C/C1=N2)C(C=C)=C6C)C(C=C)=C5C
Vitamin B12, 98+% (dry wt basis)
CAS: 68-19-9 Molecular Formula: C63H88CoN14O14P Molecular Weight (g/mol): 1355.39 MDL Number: MFCD00151092 InChI Key: YUWVGNQGDAPKCX-BVWPOUIRNA-L Synonym: vitamin b12 PubChem CID: 129893524 IUPAC Name: cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- SMILES: [C@@H]1(C2=CC3=[N+]4C(C(C3(C)C)CCC(N)=O)=C(C3=[N+]5C6C7(N8C(C([C@@]7(C)CC(N)=O)CCC(N)=O)=C(C(=[N+]2[Co+]458([N+]2=CN(C4=CC(=C(C)C=C24)C)[C@@]2([H])O[C@@H]([C@]([H])(OP([O-])(=O)OC(C)CNC(=O)CCC3(C)[C@@H]6CC(N)=O)C2O)CO)C#N)C1(C)CC(N)=O)C)C)C)CCC(N)=O
Thermo Scientific Chemicals Cyanocobalamin, 96%
CAS: 68-19-9 Molecular Formula: C63H88CoN14O14P Molecular Weight (g/mol): 1355.39 MDL Number: MFCD00151092 InChI Key: YUWVGNQGDAPKCX-BVWPOUIRNA-L Synonym: vitamin b12 PubChem CID: 129893524 IUPAC Name: cobalt(2+);[(2R,3S,4R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,2R,3R,5Z,7S,10Z,12S,13S,15Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl- SMILES: [C@@H]1(C2=CC3=[N+]4C(C(C3(C)C)CCC(N)=O)=C(C3=[N+]5C6C7(N8C(C([C@@]7(C)CC(N)=O)CCC(N)=O)=C(C(=[N+]2[Co+]458([N+]2=CN(C4=CC(=C(C)C=C24)C)[C@@]2([H])O[C@@H]([C@]([H])(OP([O-])(=O)OC(C)CNC(=O)CCC3(C)[C@@H]6CC(N)=O)C2O)CO)C#N)C1(C)CC(N)=O)C)C)C)CCC(N)=O
Cobalt(II) phthalocyanine
CAS: 3317-67-7 Molecular Formula: C32H16CoN8 Molecular Weight (g/mol): 571.469 MDL Number: MFCD00010718 InChI Key: MPMSMUBQXQALQI-UHFFFAOYSA-N Synonym: cobalt ii phthalocyanine,cobalt phthalocyanine,phthalocyanine cobalt ii,phthalocyanine, cobalt,cobalt ii phthalocyanine, beta-form, dye content 97 % PubChem CID: 2734991 SMILES: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Co+2]
Zinc phthalocyanine, 95%
CAS: 14320-04-8 Molecular Formula: C32H16N8Zn Molecular Weight (g/mol): 577.916 MDL Number: MFCD00041955 InChI Key: PODBBOVVOGJETB-UHFFFAOYSA-N Synonym: zinc phthalocyanine,znpc,phthalocyanine zinc,zinc ii phthalocyanine,phthalocyanine, zinc,zinc phthalocyanine, dye content 97 % PubChem CID: 2735172 ChEBI: CHEBI:51218 SMILES: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Zn+2]
Phthalocyanine
CAS: 574-93-6 Molecular Formula: C32H18N8 Molecular Weight (g/mol): 514.552 MDL Number: MFCD00005085 InChI Key: IEQIEDJGQAUEQZ-UHFFFAOYSA-N Synonym: phthalocyanine,pigment blue 16,29h,31h-phthalocyanine,phthalocyanin,heliogen blue g,polymon blue g,lionol blue kw,irgazin blue 3gt,ftalocianina,ci pigment blue 16 PubChem CID: 5282330 ChEBI: CHEBI:34921 SMILES: C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C(N4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2N3
Manganese(II) phthalocyanine
CAS: 14325-24-7 Molecular Formula: C32H16MnN8 Molecular Weight (g/mol): 567.474 MDL Number: MFCD00049821 InChI Key: ICIFYHOILPYQKB-UHFFFAOYSA-N PubChem CID: 6508743 SMILES: C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C([N-]4)N=C6C7=CC=CC=C7C(=N6)N=C8C9=CC=CC=C9C(=N8)N=C2[N-]3.[Mn+2]
meso-Tetraphenylporphine, low chlorine
CAS: 917-23-7 Molecular Formula: C44H30N4 Molecular Weight (g/mol): 614.75 MDL Number: MFCD00011680 InChI Key: AQPPOLXYUQPDOD-UHFFFAOYSA-N Synonym: tetraphenylporphyrin,5,10,15,20-tetraphenylporphyrin,meso-tetraphenylporphine,tetraphenylporphine,5,10,15,20-tetraphenylporphine,meso-tetraphenylporphyrin,21h,23h-porphine, 5,10,15,20-tetraphenyl,5,10,15,20-tetraphenyl-21h,23h-porphine,meso-tetraphenylporphyrine,tetraphenyl porphine PubChem CID: 70186 SMILES: N1C2=CC=C1C(=C1C=CC(=N1)C(=C1C=CC(=N1)C(=C1NC(C=C1)=C2C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1
Nickel phthalocyanine, 95%
CAS: 14055-02-8 Molecular Formula: C32H16N8Ni Molecular Weight (g/mol): 571.23 MDL Number: MFCD00041954 InChI Key: LVIYYTJTOKJJOC-UHFFFAOYSA-N Synonym: nickel phthalocyanine,nickel ii phthalocyanine,phthalocyanine, ni,nickel ii phthalocyanine, dye content 85 % PubChem CID: 2735100 IUPAC Name: nickel(2+) 2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1³,¹⁰.1¹²,¹⁹.1²¹,²⁸.0⁴,⁹.0¹³,¹⁸.0²²,²⁷.0³¹,³⁶]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-nonadecaene-37,39-diide SMILES: [Ni++].[N-]1C2=NC3=NC(=NC4=C5C=CC=CC5=C([N-]4)N=C4N=C(N=C1C1=CC=CC=C21)C1=CC=CC=C41)C1=CC=CC=C31
Nickel(II) phthalocyanine
CAS: 14055-02-8 Molecular Formula: C32H16N8Ni Molecular Weight (g/mol): 571.23 MDL Number: MFCD00041954 InChI Key: LVIYYTJTOKJJOC-UHFFFAOYSA-N Synonym: nickel phthalocyanine,nickel ii phthalocyanine,phthalocyanine, ni,nickel ii phthalocyanine, dye content 85 % PubChem CID: 2735100 IUPAC Name: nickel(2+) 2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1³,¹⁰.1¹²,¹⁹.1²¹,²⁸.0⁴,⁹.0¹³,¹⁸.0²²,²⁷.0³¹,³⁶]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-nonadecaene-37,39-diide SMILES: [Ni++].[N-]1C2=NC3=NC(=NC4=C5C=CC=CC5=C([N-]4)N=C4N=C(N=C1C1=CC=CC=C21)C1=CC=CC=C41)C1=CC=CC=C31
Magnesium phthalocyanine, tech. 90%
CAS: 1661-03-6 Molecular Formula: C32H18MgN8O Molecular Weight (g/mol): 554.856 MDL Number: MFCD00041953 InChI Key: HTNHYCHFBSVBID-UHFFFAOYSA-N Synonym: magnesium phthalocyanine PubChem CID: 91872988 SMILES: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.O.[Mg+2]
Biliverdin hydrochloride, Thermo Scientific Chemicals
CAS: 55482-27-4 Molecular Formula: C33H36Cl2N4O6 Molecular Weight (g/mol): 655.573 MDL Number: MFCD08669554 InChI Key: GNLHFBAZSKVVCQ-VTURHDOZSA-N Synonym: biliverdin hydrochloride PubChem CID: 132991794 IUPAC Name: 3-[(2Z)-2-[[3-(2-carboxyethyl)-5-[(E)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid;dihydrochloride SMILES: CC1=C(C(=CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)NC1=CC4=NC(=O)C(=C4C)C=C)CCC(=O)O.Cl.Cl
Iron(II) phthalocyanine, 96%
CAS: 132-16-1 Molecular Formula: C32H16FeN8 Molecular Weight (g/mol): 568.38 MDL Number: MFCD00015953 InChI Key: MIINHRNQLVVCEW-UHFFFAOYSA-N Synonym: iron phthalocyanine,iron ii phthalocyanine,ferrous phthalocyanine,phthalocyanine iron ii,fepc,29h,31h-phthalocyaninato 2--n29,n30,n31,n32 iron,iron, 29h,31h-phthalocyaninato 2--n29,n39,n31,n32-, sp-4-1,iron, 29h,31h-phthalocyaninato 2--kappan29,kappan30,kappan31,kappan32-, sp-4-1 PubChem CID: 2735065 IUPAC Name: λ²-iron(2+) 2,11,20,29,37,38,39,40-octaazanonacyclo[28.6.1.1³,¹⁰.1¹²,¹⁹.1²¹,²⁸.0⁴,⁹.0¹³,¹⁸.0²²,²⁷.0³¹,³⁶]tetraconta-1(36),2,4,6,8,10(40),11,13,15,17,19,21(38),22,24,26,28,30,32,34-nonadecaene-37,39-diide SMILES: [Fe++].[N-]1C2=NC3=NC(=NC4=C5C=CC=CC5=C([N-]4)N=C4N=C(N=C1C1=CC=CC=C21)C1=CC=CC=C41)C1=CC=CC=C31
Zinc protoporphyrin, 96%
CAS: 15442-64-5 Molecular Formula: C34H32N4O4Zn Molecular Weight (g/mol): 626.034 MDL Number: MFCD00011612 InChI Key: FUTVBRXUIKZACV-UHFFFAOYSA-L Synonym: zinc protoporphyrin PubChem CID: 131664383 IUPAC Name: zinc;3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-23H-porphyrin-21-id-2-yl]propanoate SMILES: CC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1[N-]2)C)C=C)C)C=C)C(=C3CCC(=O)O)C)CCC(=O)[O-].[Zn+2]
Zinc phthalocyanine, 96%
CAS: 14320-04-8 InChI Key: PODBBOVVOGJETB-UHFFFAOYSA-N Synonym: zinc phthalocyanine,znpc,phthalocyanine zinc,zinc ii phthalocyanine,phthalocyanine, zinc,zinc phthalocyanine, dye content 97 % PubChem CID: 2735172 ChEBI: CHEBI:51218 SMILES: C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C([N-]5)N=C7C8=CC=CC=C8C(=N7)N=C2[N-]3)C9=CC=CC=C94.[Zn+2]
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