Compound: Pentetic acid
SMILES: O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O
InChIKey: QPCDCPDFJACHGM-UHFFFAOYSA-N
Synonyms: Pentetic acid, diethylenetriaminepentaacetic acid, 67-43-6, DTPA, Detapac, Detarex, Titriplex V, Monaquest CAI, Perma kleer, Dabeersen 503, CHEL 330 acid, Penthanil, Penthamil, Chel DTPA, Dissolvine D, Pentacarboxymethyldiethylenetriamine, Diethylenetriamine Pentaacetic Acid, Acido pentetico, Acide pentetique, (Diethylenetrinitrilo)pentaacetic acid, Diethylenetriamine-N,N,N',N'',N''-pentaacetic acid, Acidum penteticum, DTP-A, 1,1,4,7,7-Diethylenetriaminepentaacetic acid, NSC-7340, Glycine, N,N-bis(2-(bis(carboxymethyl)amino)ethyl)-, Diethylene triamine pentaacetic acid, NANODTPA, 7A314HQM0I, DTXSID2023434, Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, NSC7340, (Diethylenetriamine)pentaacetic acid, NANODTPA COMPONENT DTPA, DTXCID603434, N-Carboxymethyliminobis(ethylenenitrilo)tetra(acetic acid), (((Carboxymethyl)imino)bis(ethylenenitrilo))tetraacetic acid, CHEBI:35739, NANODTPA ZN-DTPA COMPONENT DTPA, NANO-DTPA CAPSULE COMPONENT DTPA, [[(Carboxymethyl)imino]bis(ethylenenitrilo)]tetraacetic acid, CaDTPA, Pentaind, CaNa-DTPA, Indium DTPA, RefChem:56262, Pentetate, Calcium Trisodium, V09AX01, V09CA01, Pentaacetic Acid, Diethylenetriamine, Kit for the preparation of Technetium Tc 99m Pentetate, 2,2',2'',2''',2''''-(ethane-1,2-diylnitrilo)pentaacetic acid;N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycine, 200-652-8, Hamp-Ex Acid, DETPA, H5dtpa, 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid, N,N-Bis(2-(bis-(carboxymethyl)amino)ethyl)-glycine, Monaquest, Diethylenetriaminepentacetic acid, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycine, NSC 7340, MFCD00004289, N,N-bis{2-[bis(carboxymethyl)amino]ethyl}glycine, 3,6,9-Triazaundecanedioic acid, 3,6,9-tris(carboxymethyl)-, Acetic acid, ((carboxymethylimino)bis(ethylenenitrilo))tetra-, N,N-Bis(2-(bis(carboxymethyl)amino)ethyl)glycine, Acetic acid, 2,2',2'',2'''-(((carboxymethyl)imino)bis(2,1-ethanediylnitrilo))tetrakis-, Diethylenetriaminepentaacetic acid;DTPA, CAS-67-43-6, NCGC00015360-05, 2-[bis({2-[bis(carboxymethyl)amino]ethyl})amino]acetic acid, Penthamil (VAN), 2,2',2'',2'''-((((Carboxymethyl)azanediyl)bis(ethane-2,1-diyl))bis(azanetriyl))tetraacetic acid, N,N,N',N'',N''-diethylenetriaminepentaacetic acid, C14H23N3O10, [[(carboxymethyl)imino]bis(1,2-ethanediylnitrilo)tetraacetic acid], 2,2',2'',2''',2''''-(ethane-1,2-diylnitrilo)pentaacetic acid, Diethylenetriaminepentaacetic acid, 99%, Acide pentetique [INN-French], Acido pentetico [INN-Spanish], Acidum penteticum [INN-Latin], SR-01000075826, EINECS 200-652-8, BRN 1810219, 2-(bis{2-[bis(carboxymethyl)amino]ethyl}amino)acetic acid, UNII-7A314HQM0I, Acetic acid, [(carboxymethylimino)bis(ethylenenitrilo)]tetra-, pentetic-acid, Pentetic?Acid, Acetic acid, 2,2',2'',2'''-[[(carboxymethyl)imino]bis(2,1-ethanediylnitrilo)]tetrakis-, Pentetic acid [USAN:USP:INN:BAN], 2,2'-(Carboxymethylimino)bis(ethyliminodiessigsaeure), Pentetic acid; DTPA, Plexene D (Salt/Mix), Syntron C (Salt/Mix), Kiresuto P (Salt/Mix), Tetralon B (Salt/Mix), 9-Propylamino-phenanthren, Prestwick0_000941, Prestwick1_000941, Prestwick2_000941, Prestwick3_000941, Lopac-D-6518, PENTETATE [VANDF], Pentetic acid (Standard), Chel 330 (Salt/Mix), CHEMBL780, EC 200-652-8, Pentetic acid (USP/INN), PENTETIC ACID [II], PENTETIC ACID [MI], PENTETIC ACID [INN], Lopac0_000431, SCHEMBL17138, BSPBio_000902, PENTETIC ACID [USAN], 4-04-00-02454 (Beilstein Handbook Reference), PENTETIC ACID [VANDF], SPBio_003061, PENTETIC ACID [MART.], BPBio1_000994, orb1310634, PENTETIC ACID [USP-RS], PENTETIC ACID [WHO-DD], HY-B1335R, BDBM610684, HMS1570N04, HMS2094E03, HMS2097N04, HMS3261G04, HMS3714N04, Pharmakon1600-01506082, HY-B1335, US10624871, Compound 12, Tox21_110131, Tox21_500431, AC-333, BBL002988, EBC-26924, NSC759314, s4824, SBB008753, STK373226, PENTETIC ACID [USP MONOGRAPH], WLN: QV1N1VQ2N1VQ2N1VQ1VQ, AKOS005446652, Tox21_110131_1, CCG-204523, DB14007, FP29951, LP00431, NSC-759314, SDCCGSBI-0050416.P003, NCGC00015360-01, NCGC00015360-02, NCGC00015360-03, NCGC00015360-04, NCGC00015360-06, NCGC00015360-08, NCGC00015360-09, NCGC00015360-12, NCGC00093852-01, NCGC00093852-02, NCGC00093852-03, NCGC00261116-01, DA-52527, diethylenetriaminepentaacetic acid (DTPA), VS-01284, SBI-0050416.P002, 1,4,7,7-Diethylenetriaminepentaacetic acid, AB00375916, CS-0013088, D0504, EU-0100431, NS00007493, ST50868315, D 6518, D05422, Diethylenetriaminepentaacetic acid, p.a., 99%, EN300-199939, AB00375916-04, AB00375916_05, DIETHYLENETRIAMINE PENTAACETIC ACID [VANDF], Diethylenetriamine-N,N',N'',N''-pentaacetic acid, F319523, Glycine,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, Q416487, N,N-bis {2-[bis(carboxymethyl)amino]ethyl}glycine, SR-01000075826-1, SR-01000075826-4, BRD-K40621224-001-01-8, BRD-K40621224-001-06-7, Diethylenetriaminepentaacetic acid, >=98% (titration), Diethylenetriaminepentaacetic acid, >=99% (titration), N, {N-Bis[2-[bis(carboxymethyl)amino]ethyl]glycine}, Glycine, {N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-}, 3,9-Triazaundecanedioic acid, 3,6,9-tris(carboxymethyl)-, DIETHYLENETRIAMINE- N,N,N',N',N''-PENTAACETIC ACID, DTPA, Diethylenetriamine-N,N,N',N'',N''-pentaacetic acid, (((Carboxymethyl)imino)bis(ethylenenitrilo))-tetraacetic acid, {[[(Carboxymethyl)imino]bis(ethylenenitrilo)]tetraacetic} acid, Acetic acid, {[(carboxymethylimino)bis(ethylenenitrilo)]tetra-}, Pentetic acid, United States Pharmacopeia (USP) Reference Standard, Acetic acid,2',2'',2'''-[[(carboxymethyl)imino]bis(2,1-ethanediylnitrilo)]tetrakis-, 1004765-76-7, 2-{[2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)ethyl](carboxyme thyl)amino}acetic acid
Theoretical properties:
molecular_formula: C14H23N3O10
molecular_weight: 393.35 g/mol
exact_mass: 393.13834394 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 5
hydrogen_bond_acceptor_count: 13
rotatable_bond_count: 16
heavy_atom_count: 27
topological_polar_surface_area: 196 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
boiling_point: Decomposes
melting_point: 219-220 ºC
solubility: Highly soluble
Descriptions:
pubchem: Pentetic acid is a pentacarboxylic acid. It has a role as a copper chelator. It is a conjugate acid of a pentetate(1-).
chembl: PENTETIC ACID is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Pentetic acid or diethylenetriaminepentaacetic acid (DTPA) is an aminopolycarboxylic acid consisting of a diethylenetriamine backbone with five carboxymethyl groups. The molecule can be viewed as an expanded version of EDTA and is used similarly.  It is a white solid with limited solubility in water.