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Pentacarboxylic acids and derivatives

Organic compounds that contain five carboxyl groups; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from pentacarboxylic acids.
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1

Diethylenetriaminepentaacetic acid dianhydride, 95%

CAS: 23911-26-4 Molecular Formula: C14H19N3O8 Molecular Weight (g/mol): 357.319 MDL Number: MFCD00010697 InChI Key: RAZLJUXJEOEYAM-UHFFFAOYSA-N Synonym: dtpa-anhydride,cyclic dtpa anhydride,2-bis 2-2,6-dioxomorpholino ethyl amino acetic acid,unii-wnm9rlh5x9,wnm9rlh5x9,diethylenetriaminepentaacetic dianhydride,diethylenetriaminepentaacetic acid dianhydride,cdtpaa,glycine, n,n-bis 2-2,6-dioxo-4-morpholinyl ethyl,bis 2-2,6-dioxomorpholin-4-yl ethyl amino acetic acid PubChem CID: 100825 IUPAC Name: 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid SMILES: C1C(=O)OC(=O)CN1CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O

PubChem CID 100825
CAS 23911-26-4
Molecular Weight (g/mol) 357.319
MDL Number MFCD00010697
SMILES C1C(=O)OC(=O)CN1CCN(CCN2CC(=O)OC(=O)C2)CC(=O)O
Synonym dtpa-anhydride,cyclic dtpa anhydride,2-bis 2-2,6-dioxomorpholino ethyl amino acetic acid,unii-wnm9rlh5x9,wnm9rlh5x9,diethylenetriaminepentaacetic dianhydride,diethylenetriaminepentaacetic acid dianhydride,cdtpaa,glycine, n,n-bis 2-2,6-dioxo-4-morpholinyl ethyl,bis 2-2,6-dioxomorpholin-4-yl ethyl amino acetic acid
IUPAC Name 2-[bis[2-(2,6-dioxomorpholin-4-yl)ethyl]amino]acetic acid
InChI Key RAZLJUXJEOEYAM-UHFFFAOYSA-N
Molecular Formula C14H19N3O8
2

Thermo Scientific Chemicals Thymolphthalexone

CAS: 1913-93-5 Molecular Formula: C38H44N2O12 Molecular Weight (g/mol): 720.77 MDL Number: MFCD00001619 InChI Key: AGXCADFSYJNMEG-UHFFFAOYNA-N Synonym: thymolphthalexone,thymolphthalein complexon,thymolphthalein complexone,thymolphthalexon,thymolphthalein-3,3'-bismethyliminodiacetic acid,3-1-3-bis carboxymethyl amino methyl-4-hydroxy-5-isopropyl-2-methylphenyl-3-oxo-2-benzofuran-1-yl-6-hydroxy-5-isopropyl-2-methylphenyl methyl carboxymethyl amino acetic acid,n,n'-3-oxo-1 3h-isobenzofuranylidene bis 6-hydroxy-2-methyl-5-1-methylethyl-3,1-phenylene methylene bis n-carboxymethyl glycine,thymophthalexon,3',3-bis n,n-di carboxymethyl aminomethyl thymolphthalein,2,2',2,2'-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl bis 6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene methylenenitrilo tetraacetic acid PubChem CID: 112918 IUPAC Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid SMILES: CC(C)C1=CC(=C(C)C(C[NH+](CC(O)=O)CC([O-])=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C(C)C)=C(O)C(C[NH+](CC(O)=O)CC([O-])=O)=C1C

PubChem CID 112918
CAS 1913-93-5
Molecular Weight (g/mol) 720.77
MDL Number MFCD00001619
SMILES CC(C)C1=CC(=C(C)C(C[NH+](CC(O)=O)CC([O-])=O)=C1O)C1(OC(=O)C2=CC=CC=C12)C1=CC(C(C)C)=C(O)C(C[NH+](CC(O)=O)CC([O-])=O)=C1C
Synonym thymolphthalexone,thymolphthalein complexon,thymolphthalein complexone,thymolphthalexon,thymolphthalein-3,3'-bismethyliminodiacetic acid,3-1-3-bis carboxymethyl amino methyl-4-hydroxy-5-isopropyl-2-methylphenyl-3-oxo-2-benzofuran-1-yl-6-hydroxy-5-isopropyl-2-methylphenyl methyl carboxymethyl amino acetic acid,n,n'-3-oxo-1 3h-isobenzofuranylidene bis 6-hydroxy-2-methyl-5-1-methylethyl-3,1-phenylene methylene bis n-carboxymethyl glycine,thymophthalexon,3',3-bis n,n-di carboxymethyl aminomethyl thymolphthalein,2,2',2,2'-3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl bis 6-hydroxy-5-isopropyl-2-methyl-3,1-phenylene methylenenitrilo tetraacetic acid
IUPAC Name 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetic acid
InChI Key AGXCADFSYJNMEG-UHFFFAOYNA-N
Molecular Formula C38H44N2O12
3

Diethylenetriaminepentaacetic Acid, TRC

CAS: 67-43-6 Molecular Formula: C14 H23 N3 O10 Molecular Weight (g/mol): 393.35 Synonym: Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-,N,N-Bis[2-[bis(carboxymethyl)amino]ethyl]glycine,1,1,4,7,7-Diethylenetriaminepentaacetic acid,3,6,9-Triazaundecanedioic acid, 3,6,9-tris(carboxymethyl)-,Acetic acid, 2,2',2'',2'''-[[(carboxymethyl)imino]bis(2,1-ethanediylnitrilo)]tetrakis-,Chel 330 acid,Chel DTPA,Chelest 3PA,Clewat DA,Complexon V,DETP,DETPA,DPTA,DTPA,Dabeersen 503,Detapac,Detarex,Diethylenetriamine-N,N,N',N'',N''-pentaacetic acid,Diethylenetriaminepentaacetic acid,Dissolvine D,Hamp-Ex Acid,Monaquest CAI,NSC 7340,Pentacarboxymethyl diethylenetriamine,Pentetic acid,Titriplex V,Trilon CS,[[(Carboxymethyl)imino]bis(ethylenenitrilo)]tetraacetic acid IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O

CAS 67-43-6
Molecular Weight (g/mol) 393.35
SMILES OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
Synonym Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-,N,N-Bis[2-[bis(carboxymethyl)amino]ethyl]glycine,1,1,4,7,7-Diethylenetriaminepentaacetic acid,3,6,9-Triazaundecanedioic acid, 3,6,9-tris(carboxymethyl)-,Acetic acid, 2,2',2'',2'''-[[(carboxymethyl)imino]bis(2,1-ethanediylnitrilo)]tetrakis-,Chel 330 acid,Chel DTPA,Chelest 3PA,Clewat DA,Complexon V,DETP,DETPA,DPTA,DTPA,Dabeersen 503,Detapac,Detarex,Diethylenetriamine-N,N,N',N'',N''-pentaacetic acid,Diethylenetriaminepentaacetic acid,Dissolvine D,Hamp-Ex Acid,Monaquest CAI,NSC 7340,Pentacarboxymethyl diethylenetriamine,Pentetic acid,Titriplex V,Trilon CS,[[(Carboxymethyl)imino]bis(ethylenenitrilo)]tetraacetic acid
IUPAC Name 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
Molecular Formula C14 H23 N3 O10
4

o-Cresolphthalein Complexone, TRC

CAS: 2411-89-4 Molecular Formula: C32 H32 N2 O12 Molecular Weight (g/mol): 636.6 Synonym: 3',3' '-Bis[[bis(carboxymethyl)amino]methyl]-5',5' '-dimethyl-phenolphthalein;N,N'-[(3-Oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)glycine];3,3'-Bis[N,N-bis(carboxymethyl)aminomethyl]-o-cresolphthalein;3,3'-Bis[N,N-di(carboxymethyl)aminomethyl]-o-cresolphthalein; IUPAC Name: 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methyl-phenyl]-3-oxo-isobenzofuran-1-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]acetic acid SMILES: O=C(O)CN(CC(=O)O)CC=1C=C(C=C(C1O)C)C2(OC(=O)C=3C=CC=CC32)C=4C=C(C(O)=C(C4)CN(CC(=O)O)CC(=O)O)C

CAS 2411-89-4
Molecular Weight (g/mol) 636.6
SMILES O=C(O)CN(CC(=O)O)CC=1C=C(C=C(C1O)C)C2(OC(=O)C=3C=CC=CC32)C=4C=C(C(O)=C(C4)CN(CC(=O)O)CC(=O)O)C
Synonym 3',3' '-Bis[[bis(carboxymethyl)amino]methyl]-5',5' '-dimethyl-phenolphthalein;N,N'-[(3-Oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)glycine];3,3'-Bis[N,N-bis(carboxymethyl)aminomethyl]-o-cresolphthalein;3,3'-Bis[N,N-di(carboxymethyl)aminomethyl]-o-cresolphthalein;
IUPAC Name 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-5-methyl-phenyl]-3-oxo-isobenzofuran-1-yl]-2-hydroxy-3-methyl-phenyl]methyl-(carboxymethyl)amino]acetic acid
Molecular Formula C32 H32 N2 O12