DOTA

Ligand id: 5538

Name: DOTA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 162.16
Molecular weight 404.19
XLogP -3.06
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
International Nonproprietary Names
INN number INN
8571 tetraxetan
Synonyms
NSC 681107
Database Links
CAS Registry No. 60239-18-1 (source: Scifinder)
ChEBI CHEBI:61028
ChEMBL Ligand CHEMBL1721515
PubChem CID 121841
Search Google for chemical match using the InChIKey WDLRUFUQRNWCPK-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WDLRUFUQRNWCPK
Search PubMed clinical trials tetraxetan
Search PubMed titles tetraxetan
Search PubMed titles/abstracts tetraxetan
Search UniChem for chemical match using the InChIKey WDLRUFUQRNWCPK-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WDLRUFUQRNWCPK
Wikipedia DOTA_(chelator)
Comments
A macrocyclic chelator used to form complexes with some synthetic peptides. Drugs containing DOTA as a chelator are allocated INNs ending with tetraxetan.