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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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Diethylenetriaminepentaacetic acid, 98+%

CAS: 67-43-6 Molecular Formula: C14H23N3O10 Molecular Weight (g/mol): 393.34 InChI Key: QPCDCPDFJACHGM-UHFFFAOYSA-N Synonym: pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid PubChem CID: 3053 ChEBI: CHEBI:35739 IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

PubChem CID 3053
CAS 67-43-6
Molecular Weight (g/mol) 393.34
ChEBI CHEBI:35739
SMILES C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
Synonym pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid
IUPAC Name 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
InChI Key QPCDCPDFJACHGM-UHFFFAOYSA-N
Molecular Formula C14H23N3O10
2
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Thermo Scientific Chemicals Diethylenetriaminepentaacetic acid, pentasodium salt, tech., 40% aqueous solution

CAS: 140-01-2 | C14H18N3Na5O10 | 503.26 g/mol

Linear Formula NaOCOCH2N(CH2CH2N(CH2COONa)2)2
Molecular Weight (g/mol) 503.26
InChI Key LQPLDXQVILYOOL-UHFFFAOYSA-I
Density 1.2900g/mL
PubChem CID 8779
Name Note 40% Aqueous Solution
Percent Purity 39 to 41%
pH 11.0 to 12.0 (1% aq. soln.)
Formula Weight 503.26
Melting Point -40°C
Boiling Point 106°C
Physical Form Solution
Chemical Name or Material Diethylenetriaminepentaacetic acid, pentasodium salt
Grade Technical
SMILES [Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O
CAS 7732-18-5
Health Hazard 3 GHS P Statement
Wash face,hands and any exposed skin thoroughly after handling.
Wear eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes.
Remove contact lenses,if present and easy to do.
Cont
MDL Number MFCD00051016
Health Hazard 2 GHS H Statement
Causes serious eye irritation.
Solubility Information Solubility in water: soluble. Other solubilities: mixible with many organic solvents
Packaging Glass bottle
Flash Point >100°C
Health Hazard 1 GHS Signal Word: Warning
Refractive Index 1.4185 to 1.4205
Synonym pentasodium dtpa,tetralon b,trilon c,versenex 80,pentasodium pentetate,hamp-ex 80,detarex py,kiresuto p,chelest p,plexene d
IUPAC Name pentasodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
Beilstein 04, III, 1190
Molecular Formula C14H18N3Na5O10
EINECS Number 205-391-3
Specific Gravity 1.29
3
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Diethylenetriaminepentaacetic acid, 98+%

CAS: 67-43-6 Molecular Formula: C14H23N3O10 Molecular Weight (g/mol): 393.349 MDL Number: MFCD00004289 InChI Key: QPCDCPDFJACHGM-UHFFFAOYSA-N Synonym: pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid PubChem CID: 3053 ChEBI: CHEBI:35739 IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O

PubChem CID 3053
CAS 67-43-6
Molecular Weight (g/mol) 393.349
ChEBI CHEBI:35739
MDL Number MFCD00004289
SMILES C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
Synonym pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid
IUPAC Name 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
InChI Key QPCDCPDFJACHGM-UHFFFAOYSA-N
Molecular Formula C14H23N3O10
4
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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
5
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Thapsigargin, 97%

CAS: 67526-95-8 Molecular Formula: C34H50O12 Molecular Weight (g/mol): 650.76 MDL Number: MFCD00083511 InChI Key: IXFPJGBNCFXKPI-FSIHEZPISA-N PubChem CID: 126969181 IUPAC Name: [(3S,3aR,4S,6S,6aS,7S,8S,9bR)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate SMILES: CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC

PubChem CID 126969181
CAS 67526-95-8
Molecular Weight (g/mol) 650.76
MDL Number MFCD00083511
SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
IUPAC Name [(3S,3aR,4S,6S,6aS,7S,8S,9bR)-6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate
InChI Key IXFPJGBNCFXKPI-FSIHEZPISA-N
Molecular Formula C34H50O12
6

Thapsigargin, 95%

CAS: 67526-95-8 Molecular Formula: C34H50O12 Molecular Weight (g/mol): 650.76 MDL Number: MFCD00083511 InChI Key: IXFPJGBNCFXKPI-FSIHEZPISA-N PubChem CID: 126969181 SMILES: CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC

PubChem CID 126969181
CAS 67526-95-8
Molecular Weight (g/mol) 650.76
MDL Number MFCD00083511
SMILES CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
InChI Key IXFPJGBNCFXKPI-FSIHEZPISA-N
Molecular Formula C34H50O12