Products for Research Use Only
RegisterLogin

Gadopentetic Acid

CAT: 0572-TRC-G125775-250MGSize: 250 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-G125775-250MGSize:250 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
80529-93-7
Synonyms
Gadolinate(2-), [N,N-bis[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]glycinato(5-)-κN,κO]-, hydrogen (1:2); Gadolinate(2-), [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]-, dihydrogen; Gadolinate(2-), [N,N-bis[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]glycinato(5-)-κN,κO]-, dihydrogen (9CI); Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, gadolinium complex; (Diethylenetriaminepentaacetato)gadolinium; Gadopentetic acid; Gd-DTPA
Hazard Statement
Causes skin irritation.
Purity
>95% (HPLC)
Smiles
OC1=O[Gd+3]234567N(CCN2(CC(=O3)O)CC(=O)[O-]4)(CCN5(C1)CC(=O)[O-]6)CC(=O)[O-]7
Molecular Formula
C14 H20 Gd N3 O10
Molecular Weight
547.57
InChI
InChI=1S/C14H23N3O10.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+3/p-3
Shipping Conditions
Room Temperature
Storage Conditions
+20°C

Chemical Information

Gadopentetic Acid

Gadopentetate is a gadolinium coordination entity. It has a role as a MRI contrast agent.

CAS Number80529-93-7
PubChem CID6857474
IUPAC Name2-[bis[2-[carboxylatomethyl(carboxymethyl)amino]ethyl]amino]acetate;gadolinium(3+)
Molecular FormulaC14H20GdN3O10
Molecular Weight547.57
Topological Polar Surface Area205
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count13
Heavy Atom Count28
Formal Charge0
Complexity497
SMILES
C(CN(CC(=O)O)CC(=O)[O-])N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Gd+3]
InChI
InChI=1S/C14H23N3O10.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+3/p-3
InChIKey
IZOOGPBRAOKZFK-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of Gadopentetic Acid
CAS: 80529-93-7
CID: 6857474
Formula: C14H20GdN3O10
MW: 547.57
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.57
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count13
Exact Mass548.03898
Monoisotopic Mass548.03898
Topological Polar Surface Area205 Ų
Heavy Atom Count28
Formal Charge0
Complexity497
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
E917720Ethylenediaminediacetic Acid Dipropionic Acid
TRC-B189000-50GThiobenzoic Acid (94%)(Benzenecarbothioic Acid)
TRC-H714565-10MLHydrobromic Acid Solution (in Acetic Acid)
TRC-C987720-50MGN-Cyclohexylsulfamic Acid(Cyclamic Acid)
TRC-H714565-25MLHydrobromic Acid Solution (in Acetic Acid)
TRC-C987720-1GN-Cyclohexylsulfamic Acid(Cyclamic Acid)
TRC-H714565-100MLHydrobromic Acid Solution (in Acetic Acid)
TRC-B189000-10GThiobenzoic Acid (94%)(Benzenecarbothioic Acid)
TRC-E649890-100GD(-)-Isoascorbic Acid (Erythorbic Acid)
TRC-C987720-10GN-Cyclohexylsulfamic Acid(Cyclamic Acid)

Alternative Products

CatalogName
MBS5756010Gadopentetic acid
HY-107353RGadopentetic acid (Standard)
A19262-100Gadopentetic acid 100mg
A19262-500Gadopentetic acid 500mg
AR-G01875-01Gadopentetic Acid Related Compound 1
AR-G01876-01Gadopentetic Acid Related Compound 2
MBS6083807-01Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
OR1071368-01Acid-apeg6-acid
L2500-01Lipoic Acid (Thioctic Acid, (±) -α-Lipoic Acid)
041005Cacodylic Acid (dimethylarsonic acid, dimethylarsinic acid)

Popular Products