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Tetrapyrroles and derivatives

Organic polycyclic compounds that contain four pyrrole or pyrrole-like rings in their structure. Includes compounds derived from tetrapyrroles.
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1

Chlorophyll, Water Soluble, MP Biomedicals

CAS: 1406-65-1 Molecular Formula: C55H72MgN4O5 Molecular Weight (g/mol): 893.509 InChI Key: ATNHDLDRLWWWCB-AENOIHSZSA-M Synonym: unii-yf5q9ejc8y,chlorophyll a,chlorophyll-a,yf5q9ejc8y,chlorophyll,magnesium, 2e,7r,11r-3,7,11,15-tetramethyl-2-hexadecenyl 3s,4s,21r-9-ethenyl-14-ethyl-21-methoxycarbonyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato 2--kappan23,kappan24,kappan25,kappan26-, sp-4-2,unii-00wnz48or9 component,2s-1-4r,7s,10s,13s,16s,19r-19-amino-7-2-amino-2-oxo-ethyl-10-3-amino-3-oxo-propyl-13-benzyl-16-4-hydroxyphenyl methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl-n-1s-1-2-amino-2-oxo-ethyl carbamoyl-4-guanidino-butyl pyrro,2s-1-4r,7s,10s,13s,16s,19r-19-amino-7-2-amino-2-oxo-ethyl-10-3-amino-3-oxo-propyl-13-benzyl-16-4-hydroxyphenyl methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl-n-1s-5-amino-1-2-amino-2-oxo-ethyl carbamoyl pentyl pyrrolid,magnesium, 3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-21-methoxycarbonyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato 2--n23,n24,n25,n26-, sp-4-2-3s-3alpha 2e,7s*,11s* ,4beta,21beta PubChem CID: 16667503 ChEBI: CHEBI:18230 SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2]

PubChem CID 16667503
CAS 1406-65-1
Molecular Weight (g/mol) 893.509
ChEBI CHEBI:18230
SMILES CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2]
Synonym unii-yf5q9ejc8y,chlorophyll a,chlorophyll-a,yf5q9ejc8y,chlorophyll,magnesium, 2e,7r,11r-3,7,11,15-tetramethyl-2-hexadecenyl 3s,4s,21r-9-ethenyl-14-ethyl-21-methoxycarbonyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato 2--kappan23,kappan24,kappan25,kappan26-, sp-4-2,unii-00wnz48or9 component,2s-1-4r,7s,10s,13s,16s,19r-19-amino-7-2-amino-2-oxo-ethyl-10-3-amino-3-oxo-propyl-13-benzyl-16-4-hydroxyphenyl methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl-n-1s-1-2-amino-2-oxo-ethyl carbamoyl-4-guanidino-butyl pyrro,2s-1-4r,7s,10s,13s,16s,19r-19-amino-7-2-amino-2-oxo-ethyl-10-3-amino-3-oxo-propyl-13-benzyl-16-4-hydroxyphenyl methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl-n-1s-5-amino-1-2-amino-2-oxo-ethyl carbamoyl pentyl pyrrolid,magnesium, 3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-21-methoxycarbonyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato 2--n23,n24,n25,n26-, sp-4-2-3s-3alpha 2e,7s*,11s* ,4beta,21beta
InChI Key ATNHDLDRLWWWCB-AENOIHSZSA-M
Molecular Formula C55H72MgN4O5
2

Titanyl Phthalocyanine (purified by sublimation), TCI America™

CAS: 26201-32-1 Molecular Formula: C32H18N8OTi Molecular Weight (g/mol): 578.418 MDL Number: MFCD00145414 InChI Key: DOEAHNYJXVICHS-UHFFFAOYSA-N Synonym: TiOPc, Oxo(phthalocyaninato)titanium PubChem CID: 131664299 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.O.[Ti+2]

PubChem CID 131664299
CAS 26201-32-1
Molecular Weight (g/mol) 578.418
MDL Number MFCD00145414
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.O.[Ti+2]
Synonym TiOPc, Oxo(phthalocyaninato)titanium
InChI Key DOEAHNYJXVICHS-UHFFFAOYSA-N
Molecular Formula C32H18N8OTi
3

Iron(II) Phthalocyanine (purified by sublimation) 98.0+%, TCI America™

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

PubChem CID 2735065
CAS 132-16-1
Molecular Weight (g/mol) 568.38
MDL Number MFCD00015953
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
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
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
InChI Key MIINHRNQLVVCEW-UHFFFAOYSA-N
Molecular Formula C32H16FeN8
4

Copper(II) 2,3,9,10,16,17,23,24-Octafluorophthalocyanine (purified by sublimation) 98.0+%, TCI America™

CAS: 148651-60-9 Molecular Formula: C32H8CuF8N8 Molecular Weight (g/mol): 720.005 InChI Key: SYOZEEBBXMOLOS-UHFFFAOYSA-N Synonym: 2,3,9,10,16,17,23,24-Octafluorophthalocyanine Copper(II), F8CuPc PubChem CID: 53384437 SMILES: C1=C2C(=CC(=C1F)F)C3=NC4=NC(=NC5=NC(=NC6=C7C=C(C(=CC7=C([N-]6)N=C2[N-]3)F)F)C8=CC(=C(C=C85)F)F)C9=CC(=C(C=C94)F)F.[Cu+2]

PubChem CID 53384437
CAS 148651-60-9
Molecular Weight (g/mol) 720.005
SMILES C1=C2C(=CC(=C1F)F)C3=NC4=NC(=NC5=NC(=NC6=C7C=C(C(=CC7=C([N-]6)N=C2[N-]3)F)F)C8=CC(=C(C=C85)F)F)C9=CC(=C(C=C94)F)F.[Cu+2]
Synonym 2,3,9,10,16,17,23,24-Octafluorophthalocyanine Copper(II), F8CuPc
InChI Key SYOZEEBBXMOLOS-UHFFFAOYSA-N
Molecular Formula C32H8CuF8N8
5

1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-Hexadecafluorophthalocyanine Copper(II) (purified by sublimation) 98.0+%, TCI America™

CAS: 14916-87-1 Molecular Formula: C32H2CuF16N8 Molecular Weight (g/mol): 865.944 MDL Number: MFCD00274642 InChI Key: NKBVANSQKHVZHF-UHFFFAOYSA-N Synonym: Copper(II) 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-Hexadecafluorophthalocyanine, F16CuPc PubChem CID: 87077853 SMILES: C12=C(C(=C(C(=C1F)F)F)F)C3=NC4=NC(=NC5=NC(=NC6=C7C(=C(N6)N=C2N3)C(=C(C(=C7F)F)F)F)C8=C5C(=C(C(=C8F)F)F)F)C9=C4C(=C(C(=C9F)F)F)F.[Cu]

PubChem CID 87077853
CAS 14916-87-1
Molecular Weight (g/mol) 865.944
MDL Number MFCD00274642
SMILES C12=C(C(=C(C(=C1F)F)F)F)C3=NC4=NC(=NC5=NC(=NC6=C7C(=C(N6)N=C2N3)C(=C(C(=C7F)F)F)F)C8=C5C(=C(C(=C8F)F)F)F)C9=C4C(=C(C(=C9F)F)F)F.[Cu]
Synonym Copper(II) 1,2,3,4,8,9,10,11,15,16,17,18,22,23,24,25-Hexadecafluorophthalocyanine, F16CuPc
InChI Key NKBVANSQKHVZHF-UHFFFAOYSA-N
Molecular Formula C32H2CuF16N8
6

Phthalocyanine (purified by sublimation) 98.0+%, TCI America™

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

PubChem CID 5282330
CAS 574-93-6
Molecular Weight (g/mol) 514.552
ChEBI CHEBI:34921
MDL Number MFCD00005085
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
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
InChI Key IEQIEDJGQAUEQZ-UHFFFAOYSA-N
Molecular Formula C32H18N8