Tetrapyrroles and derivatives
Thermo Scientific Chemicals Cyanocobalamin, 96%
CAS: 68-19-9 Molecular Formula: C63H88CoN14O14P Molecular Weight (g/mol): 1355.38 MDL Number: MFCD00151092 InChI Key: AGVAZMGAQJOSFJ-WZHZPDAFSA-M 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: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=C(C7=NC(=CC8=NC(=C(C4=N5)C)C(C8(C)C)CCC(=O)N)C(C7(C)CC(=O)N)CCC(=O)N)C)[N-]6)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+2]
Thermo Scientific Chemicals Hemin, 98%, porcine
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
Thermo Scientific Chemicals Bilirubin, 98+%
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
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
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
Hematin, TRC
CAS: 15489-90-4 Molecular Formula: C34H33N4O5Fe Molecular Weight (g/mol): 633.49 Synonym: Haematin,Hydroxy[dihydrogen Protoporphyrin IX-ato(2-)]iron,Hydroxyhemin,Phenodin,Protohematin,[Dihydrogen 3,7,12,17-tetramethyl-8,13-divinyl-2,18-porphinedipropionato(2-)]hydroxyiron,Ferrihemate,Ferriheme Hydroxide,Ferriporphyrin Hydroxide,Ferriprotoporphyrin IX Hydroxide,Ferriprotoporphyrin Basic,Growthphyllin SMILES: CC1=C(CCC(=O)O)C2=CC3=C(CCC(=O)O)C(=C4C=C5C(=C(C=C)C6=N5[Fe+3]7([OH-])(N2=C1C=C8C(=C(C)C(=C6)[N-]78)C=C)[N-]34)C)C
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
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
Cobamamide, TRC
CAS: 13870-90-1 Molecular Formula: C72 H100 Co N18 O17 P Molecular Weight (g/mol): 1579.58 Synonym: Cobinamide, Co-(5'-deoxyadenosin-5'-yl)-, f-(dihydrogen phosphate), inner salt, 3'-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3) (9CI),Cobinamide, Co-(5'-deoxyadenosine-5') deriv., hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole,Cobinamide, Co-(5'-deoxyadenosine-5') deriv., hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosylbenzimidazole (8CI),(5,6-dimethylbenzimidazolyl)cobamide coenzyme,(5'-Deoxy-5'-adenosyl)cobamide coenzyme,5,6-Dimethylbenzimidazolyl-Co-5'-deoxyadenosylcobamide,5-Deoxyadenosylcobalamin,5'-Deoxy-5'-adenosylcobalamin,5'-Deoxyadenosyl vitamin B12,5'-Deoxyadenosyl-5,6-dimethylbenzimidazolylcobamide,5'-Deoxyadenosylcobalamin,Actimide,Adenosyl B12,Adenosylcobalamin,Anabasi,Betarin,Calomide,Cobalamin coenzyme,Cobalamin, Co-(5'-deoxy-5'-adenosyl)-,Cobalion,Cobamamide,Cobamide coenzyme, (5,6-dimethyl-1H-benzimidazolyl)-,Cobamide coenzyme, (5'-deoxy-5'-adenosyl)-,Cobamide, Co-(5'-deoxy-5'-adenosyl)-α-(5,6-dimethyl-1H-benzimidazolyl)-,Cobanzyme,Cobatlamin S,Cobazymase,Coenzile,Coenzyme B12,DBC,DBC coenzyme,DBCC,Deoxyadenosylcobalamin,Dibencozide,Dibenzcozamide,Dimebenzcozamide,Dolonevran,Enzicoba,Funacomide,Heraclene,Hi-Fresmin,Hycobal,Indusil,LM 176,Represil,Sabalamin,Vitamin B12 coenzyme,Vitamin B12, Co-(5'-deoxy-5'-adenosyl) deriv.,Xobaline,α-(5,6-Dimethylbenzimidazolyl)-Co-5'-deoxyadenosylcobamide,α-(5,6-Dimethylbenzimidazolyl)cobamide coenzyme IUPAC Name: (2S,3S,4R)-2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol;cobalt(3+);[(2R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,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-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate SMILES: C[C@@H]1CNC(=O)CC[C@]2(C)[C@@H](CC(=O)N)[C@H]3N4C2=C(C)C5=N6C(=CC7=N8C(=C(C)C9=N([C@]3(C)[C@@](C)(CC(=O)N)[C@@H]9CCC(=O)N)[Co+]468(C[C@H]%10O[C@H]([C@H](O)[C@@H]%10O)n%11cnc%12c(N)ncnc%11%12)N%13=CN([C@H]%14O[C@H](CO)[C@@H](OP(=O)([O-])O1)[C@H]%14O)c%15cc(C)c(C)cc%13%15)[C@@](C)(CC(=O)N)[C@@H]7CCC(=O)N)C(C)(C)[C@@H]5CCC(=O)N
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
Hydroxocobalamin (>90%), TRC
CAS: 13422-51-0 Molecular Formula: C62 H89 Co N13 O15 P Molecular Weight (g/mol): 1346.36 Synonym: Cobinamide, Co-hydroxy-, f-(dihydrogen phosphate), inner salt, 3'-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3),Cobinamide, dihydroxide, dihydrogen phosphate (ester), mono(inner salt), 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole,Cobinamide, dihydroxide, dihydrogen phosphate (ester), mono(inner salt), 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosylbenzimidazole,Alpha Cobione,AlphaRedisol,Axlon,Ciplamin H,Cobalamin, hydroxo-,Cobalex,Cobalin H,Cobinamide hydroxide phosphate 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosylbenzimidazole inner salt,Codroxomin,Docclan,Docelan,Docevita,Droxomin,Ducobee Hy,Duradoce,Duralta-12,Hydrocobalamin,Hydrogrisevit,Hydrovit,Hydroxocobalamin,Hydroxocobalamine,Hydroxocobemine,Hydroxy vitamin B12,Hydroxycobalamin,Hydroxycobalamine,Hyxobamine,Idrogrisevit,Megamilbedoce,Neo-Betalin 12,Neo-Cytamen,Neo-Macrabin,Neo-Rojamin,OH-Duphar,Oxobemin,Primabalt RP,Redisol H,Sytobex H,Vibeden,Vitadurin,Vitamin B12a,α-(5,6-Dimethylbenzimidazolyl)hydroxocobamide SMILES: C[C@@H]1CNC(=O)CC[C@]2(C)[C@@H](CC(=O)N)[C@H]3N4C2=C(C)C5=N6C(=CC7=N8C(=C(C)C9=N([C@]3(C)[C@@](C)(CC(=O)N)[C@@H]9CCC(=O)N)[Co+]468(O)N%10=CN([C@H]%11O[C@H](CO)[C@@H](OP(=O)([O-])O1)[C@H]%11O)c%12cc(C)c(C)cc%10%12)[C@@](C)(CC(=O)N)[C@@H]7CCC(=O)N)C(C)(C)[C@@H]5CCC(=O)N