Tetrapyrroles and derivatives

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

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

Pricing and Availability
Specifications

PubChem CID	131675604
CAS	16009-13-5
Molecular Weight (g/mol)	651.95
MDL Number	MFCD00010726
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
Synonym	chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin
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
InChI Key	BTIJJDXEELBZFS-HXFTUNQESA-K
Molecular Formula	C34H32ClFeN4O4

Coproporphyrin I-15N4, TRC

Molecular Formula: C36H3815N4O8 Molecular Weight (g/mol): 658.68 Synonym: 3,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropanoic -15N4 Acid,3,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionic-15N4 Acid,NSC 267073-15N4 IUPAC Name: 3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid SMILES: CC(C(/C=C(C(CCC(O)=O)=C/1C)\[15NH]C1=C/2)=[15N]/3)=C(CCC(O)=O)C3=C\C4=C(C)C(CCC(O)=O)=C(/C=C5C(C)=C(CCC(O)=O)C2=[15N]/5)[15NH]4

Pricing and Availability
Specifications

Molecular Weight (g/mol)	658.68
SMILES	CC(C(/C=C(C(CCC(O)=O)=C/1C)\[15NH]C1=C/2)=[15N]/3)=C(CCC(O)=O)C3=C\C4=C(C)C(CCC(O)=O)=C(/C=C5C(C)=C(CCC(O)=O)C2=[15N]/5)[15NH]4
Synonym	3,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropanoic -15N4 Acid,3,8,13,18-Tetramethyl-21H,23H-porphine-2,7,12,17-tetrapropionic-15N4 Acid,NSC 267073-15N4
IUPAC Name	3-[7,12,17-tris(2-carboxyethyl)-3,8,13,18-tetramethyl-21,22-dihydroporphyrin-2-yl]propanoic acid
Molecular Formula	C36H3815N4O8

Biliverdine, TRC

CAS: 114-25-0 Molecular Formula: C33 H34 N4 O6 Molecular Weight (g/mol): 582.65 Synonym: 21H-Biline-8,12-dipropanoic acid, 3,18-diethenyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-,Biline-8,12-dipropionic acid, 1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl- (8CI),Pyrrole-3-propionic acid, 2-[[3-(2-carboxyethyl)-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-3-pyrrolin-2-ylidene)methyl]-2H-pyrrol-2-ylidene]methyl]-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-3-pyrrolin-2-ylidene)methyl]- (7CI),3,18-Diethenyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid,Biliverdin,Biliverdin IXα,Biliverdine,Dehydrobilirubin,NSC 62793,Oocyan,Protobiliverdin IXα,Uteroverdine,α-Biliverdin IUPAC Name: 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methylpyrrol-2-ylidene]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid SMILES: CC1=C(C=C)\C(=C\c2[nH]c(\C=C\3/N=C(\C=C\4/NC(=O)C(=C4C)C=C)C(=C3CCC(=O)O)C)c(CCC(=O)O)c2C)\NC1=O

Pricing and Availability
Specifications

CAS	114-25-0
Molecular Weight (g/mol)	582.65
SMILES	CC1=C(C=C)\C(=C\c2[nH]c(\C=C\3/N=C(\C=C\4/NC(=O)C(=C4C)C=C)C(=C3CCC(=O)O)C)c(CCC(=O)O)c2C)\NC1=O
Synonym	21H-Biline-8,12-dipropanoic acid, 3,18-diethenyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-,Biline-8,12-dipropionic acid, 1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl- (8CI),Pyrrole-3-propionic acid, 2-[[3-(2-carboxyethyl)-4-methyl-5-[(3-methyl-5-oxo-4-vinyl-3-pyrrolin-2-ylidene)methyl]-2H-pyrrol-2-ylidene]methyl]-4-methyl-5-[(4-methyl-5-oxo-3-vinyl-3-pyrrolin-2-ylidene)methyl]- (7CI),3,18-Diethenyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid,Biliverdin,Biliverdin IXα,Biliverdine,Dehydrobilirubin,NSC 62793,Oocyan,Protobiliverdin IXα,Uteroverdine,α-Biliverdin
IUPAC Name	3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methylpyrrol-2-ylidene]methyl]-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
Molecular Formula	C33 H34 N4 O6

Coproporphyrin III Dihydrochloride, TRC

CAS: 68938-73-8 Molecular Formula: C36 H38 N4 O8 . 2Cl 2H Molecular Weight (g/mol): 727.63 Synonym: 3,8,13,17-Tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic Acid Dihydrochloride IUPAC Name: 3-[(1Z,4Z,9Z,15Z)-8,12,17-tris(2-carboxyethyl)-3,7,13,18-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride SMILES: Cl.Cl.CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5CCC(=O)O)c(CCC(=O)O)c4C)c(CCC(=O)O)c3C

Pricing and Availability
Specifications

CAS	68938-73-8
Molecular Weight (g/mol)	727.63
SMILES	Cl.Cl.CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5CCC(=O)O)c(CCC(=O)O)c4C)c(CCC(=O)O)c3C
Synonym	3,8,13,17-Tetramethyl-21H,23H-porphine-2,7,12,18-tetrapropanoic Acid Dihydrochloride
IUPAC Name	3-[(1Z,4Z,9Z,15Z)-8,12,17-tris(2-carboxyethyl)-3,7,13,18-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
Molecular Formula	C36 H38 N4 O8 . 2Cl 2H

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]

Pricing and Availability
Specifications

PubChem CID	91872988
CAS	1661-03-6
Molecular Weight (g/mol)	554.856
MDL Number	MFCD00041953
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]
Synonym	magnesium phthalocyanine
InChI Key	HTNHYCHFBSVBID-UHFFFAOYSA-N
Molecular Formula	C32H18MgN8O

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]

Pricing and Availability
Specifications

PubChem CID	6508743
CAS	14325-24-7
Molecular Weight (g/mol)	567.474
MDL Number	MFCD00049821
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]
InChI Key	ICIFYHOILPYQKB-UHFFFAOYSA-N
Molecular Formula	C32H16MnN8

Hematoporphyrin Dihydrochloride, TRC

CAS: 17696-69-4 Molecular Formula: C34 H38 N4 O6 . 2 Cl H Molecular Weight (g/mol): 671.61 Synonym: 7,12-bis(1-Hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid hydrochloride (1:2),Hematoporphyrin IX dihydrochloride IUPAC Name: 3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride SMILES: Cl.Cl.CC(O)C1=C(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5CCC(=O)O)c(CCC(=O)O)c4C)c(C)c3C(C)O

Pricing and Availability
Specifications

CAS	17696-69-4
Molecular Weight (g/mol)	671.61
SMILES	Cl.Cl.CC(O)C1=C(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)c(C)c5CCC(=O)O)c(CCC(=O)O)c4C)c(C)c3C(C)O
Synonym	7,12-bis(1-Hydroxyethyl)-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic acid hydrochloride (1:2),Hematoporphyrin IX dihydrochloride
IUPAC Name	3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
Molecular Formula	C34 H38 N4 O6 . 2 Cl H

Vanadyl phthalocyanine, 85%, pract.

CAS: 13930-88-6 Molecular Formula: C₃₂H₁₆N₈OV Molecular Weight (g/mol): 579.46 InChI Key: YRZZLAGRKZIJJI-UHFFFAOYSA-N Synonym: oxyvanadium phthalocyanine,vanadium iv oxide phthalocyanine,vanadyl phthalocyanine,vopc,vanadyl iv phthalocyanine,vanadyl phthalocyanine, dye content >90 % PubChem CID: 2735160 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=[V+2]

Pricing and Availability
Specifications

PubChem CID	2735160
CAS	13930-88-6
Molecular Weight (g/mol)	579.46
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=[V+2]
Synonym	oxyvanadium phthalocyanine,vanadium iv oxide phthalocyanine,vanadyl phthalocyanine,vopc,vanadyl iv phthalocyanine,vanadyl phthalocyanine, dye content >90 %
InChI Key	YRZZLAGRKZIJJI-UHFFFAOYSA-N
Molecular Formula	C₃₂H₁₆N₈OV

Protoporphyrin-9, TRC

CAS: 553-12-8 Molecular Formula: C34H34N4O4 Molecular Weight (g/mol): 562.66 Synonym: Protoporphyrin IX,7,12-Diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic Acid,Kammerer's Porphyrin,Levulan,NSC 177389,NSC 2632,Ooporphyrin,Protoporphyrin IUPAC Name: 3-[(1Z,4Z,9Z,15Z)-18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid SMILES: C=CC1=C(C)C2=CC3=NC(=CC4=C(CCC(=O)O)C(=C(C=C5C(=C(C)C(=N5)C=C1N2)C=C)N4)C)C(=C3C)CCC(=O)O

Pricing and Availability
Specifications

CAS	553-12-8
Molecular Weight (g/mol)	562.66
SMILES	C=CC1=C(C)C2=CC3=NC(=CC4=C(CCC(=O)O)C(=C(C=C5C(=C(C)C(=N5)C=C1N2)C=C)N4)C)C(=C3C)CCC(=O)O
Synonym	Protoporphyrin IX,7,12-Diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoic Acid,Kammerer's Porphyrin,Levulan,NSC 177389,NSC 2632,Ooporphyrin,Protoporphyrin
IUPAC Name	3-[(1Z,4Z,9Z,15Z)-18-(2-carboxyethyl)-7,12-bis(ethenyl)-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acid
Molecular Formula	C34H34N4O4

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

Pricing and Availability
Specifications

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

Bilirubin 97%, Thermo Scientific Chemicals

CAS: 635-65-4 Molecular Formula: C33H36N4O6 Molecular Weight (g/mol): 584.67 MDL Number: MFCD00005499 InChI Key: BPYKTIZUTYGOLE-IFADSCNNSA-N Synonym: bilirubin,hematoidin,hemetoidin,bilirubin ix-alpha,principal bile pigment,unii-rfm9x3lj49,bilirubin ixalpha,21h-biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo,rfm9x3lj49,biline-8,12-dipropionic acid, 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl PubChem CID: 5280352 ChEBI: CHEBI:16990 IUPAC Name: 3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid SMILES: CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1

Pricing and Availability
Specifications

PubChem CID	5280352
CAS	635-65-4
Molecular Weight (g/mol)	584.67
ChEBI	CHEBI:16990
MDL Number	MFCD00005499
SMILES	CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(CC2=C(CCC(O)=O)C(C)=C(N2)\C=C2/NC(=O)C(C=C)=C2C)N1
Synonym	bilirubin,hematoidin,hemetoidin,bilirubin ix-alpha,principal bile pigment,unii-rfm9x3lj49,bilirubin ixalpha,21h-biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo,rfm9x3lj49,biline-8,12-dipropionic acid, 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl
IUPAC Name	3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
InChI Key	BPYKTIZUTYGOLE-IFADSCNNSA-N
Molecular Formula	C33H36N4O6

Bilirubin, Thermo Scientific™

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Tetrapyrroles and derivatives

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