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DOTA-amide

CAT: 0013-GTR19248032-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19248032-02Size:100 mg
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Description
DOTA-amide is a bifunctional chelator (Bifunctional Chelator; BFC) that serves as a macrocyclic DOTA derivative for tumor pretargeting. It's suitable for conjugation with peptides and radionuclides.
CAS Number
157599-02-5
Smiles
O=C (CN1CCN (CCN (CCN (CC1) CC (N) =O) CC (N) =O) CC (N) =O) N
Molecular Formula
C16H32N8O4
Molecular Weight
400.4765
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1,4,7,10-Tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane

structure in first source

CAS Number157599-02-5
PubChem CID11560395
IUPAC Name2-[4,7,10-tris(2-amino-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetamide
Molecular FormulaC16H32N8O4
Molecular Weight400.48
XLogP-4.1
Topological Polar Surface Area185
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity447
SMILES
C1CN(CCN(CCN(CCN1CC(=O)N)CC(=O)N)CC(=O)N)CC(=O)N
InChI
InChI=1S/C16H32N8O4/c17-13(25)9-21-1-2-22(10-14(18)26)5-6-24(12-16(20)28)8-7-23(4-3-21)11-15(19)27/h1-12H2,(H2,17,25)(H2,18,26)(H2,19,27)(H2,20,28)
InChIKey
FQIHLPGWBOBPSG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4,7,10-Tetrakis(carbamoylmethyl)-1,4,7,10-tetraazacyclododecane
CAS: 157599-02-5
CID: 11560395
Formula: C16H32N8O4
MW: 400.48
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.48
XLogP3-4.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass400.25465153
Monoisotopic Mass400.25465153
Topological Polar Surface Area185 Ų
Heavy Atom Count28
Formal Charge0
Complexity447
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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