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DTPA-BSA (Gd)

CAT: 0804-HY-170225-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-170225-01Size:25 mg
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Description
DTPA-BSA (Gd) can be used as MRI agents in siRNA-encapsulated lipid-like nanoparticles (LLNs) [1].
CAS Number
186796-30-5
UNSPSC
12352200
Target
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Smiles
CCCCCCCCCCCCCCCCCCNC1=[O][Gd+3]2([N@](C3)(C4)CC5)([O]=C3NCCCCCCCCCCCCCCCCCC)([O-]C6=O)([O-]C4=O)([O-]C7=O)[N]5(C7)CC[N@]2(C6)C1
Molecular Formula
C50H94GdN5O8
Molecular Weight
1050.56
References & Citations
[1]Luo X, et al. Dual-functional lipid-like nanoparticles for delivery of mRNA and MRI contrast agents. Nanoscale. 2017 Jan 26;9 (4) :1575-1579.
Shipping Conditions
Room temperature
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

DTPA-BSA (Gd)
CAS Number186796-30-5
PubChem CID9833223
IUPAC Name2-[bis[2-[carboxylatomethyl-[2-(octadecylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+)
Molecular FormulaC50H94GdN5O8
Molecular Weight1050.6
Topological Polar Surface Area188
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count47
Heavy Atom Count64
Formal Charge0
Complexity1020
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)CN(CCN(CCN(CC(=O)NCCCCCCCCCCCCCCCCCC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]
InChI
InChI=1S/C50H97N5O8.Gd/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-51-46(56)41-54(44-49(60)61)39-37-53(43-48(58)59)38-40-55(45-50(62)63)42-47(57)52-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h3-45H2,1-2H3,(H,51,56)(H,52,57)(H,58,59)(H,60,61)(H,62,63);/q;+3/p-3
InChIKey
OGWUKORBFWIVPO-UHFFFAOYSA-K
Chemical Structure
2D Structure
2D structure of DTPA-BSA (Gd)
CAS: 186796-30-5
CID: 9833223
Formula: C50H94GdN5O8
MW: 1050.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1050.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count47
Exact Mass1050.63435
Monoisotopic Mass1050.63435
Topological Polar Surface Area188 Ų
Heavy Atom Count64
Formal Charge0
Complexity1020
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