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Diaminohydroxypropanetetraacetic acid

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Description
Diaminohydroxypropanetetraacetic acid has been investigated for the treatment of Vascular Disease, Coronary Disease, Myocardial Ischemia, Coronary Restenosis, and Coronary Artery Disease, among others
CAS Number
3148-72-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
322.27
Molecular Weight
C11H18N2O9
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Diaminopropanol tetraacetic acid

Diaminohydroxypropanetetraacetic acid has been investigated for the treatment of Vascular Disease, Coronary Disease, Myocardial Ischemia, Coronary Restenosis, and Coronary Artery Disease, among others.

CAS Number3148-72-9
PubChem CID18465
IUPAC Name2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid
Molecular FormulaC11H18N2O9
Molecular Weight322.27
XLogP-6.5
Topological Polar Surface Area176
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Heavy Atom Count22
Formal Charge0
Complexity356
SMILES
C(C(CN(CC(=O)O)CC(=O)O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C11H18N2O9/c14-7(1-12(3-8(15)16)4-9(17)18)2-13(5-10(19)20)6-11(21)22/h7,14H,1-6H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKey
WYMDDFRYORANCC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diaminopropanol tetraacetic acid
CAS: 3148-72-9
CID: 18465
Formula: C11H18N2O9
MW: 322.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.27
XLogP3-6.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count12
Exact Mass322.10123016
Monoisotopic Mass322.10123016
Topological Polar Surface Area176 Ų
Heavy Atom Count22
Formal Charge0
Complexity356
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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