DOTA (chelator)

DOTA

Names
Preferred IUPAC name 2,2′,2′′,2′′′-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid
Other names DotA; Tetraxetan
Identifiers
CAS Number	60239-18-1 Y
3D model (JSmol)	Interactive image Interactive image
ChEBI	CHEBI:61028
ChemSpider	108701 N
ECHA InfoCard	100.113.833
IUPHAR/BPS	5538
PubChem CID	121841
UNII	1HTE449DGZ Y
CompTox Dashboard (EPA)	DTXSID60208984
InChI InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28) N Key: WDLRUFUQRNWCPK-UHFFFAOYSA-N N InChI=1/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28) Key: WDLRUFUQRNWCPK-UHFFFAOYAO
SMILES O=C(O)CN(CC1)CCN(CC(=O)O)CCN(CC(=O)O)CCN1CC(=O)O C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
Properties
Chemical formula	C16H28N4O8
Molar mass	404.420 g·mol−1
Appearance	White crystalline solid
Hazards
GHS labelling:
Pictograms
Signal word	Warning
Hazard statements	H315, H319, H335
Precautionary statements	P261, P305+P351+P338
Related compounds
Related compounds	Cyclen, EDTA
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). N verify (what is YN ?) Infobox references

DOTA (also known as tetraxetan) is an organic compound with the formula (CH₂CH₂NCH₂CO₂H)₄. The molecule consists of a central 12-membered tetraaza (i.e., containing four nitrogen atoms) ring. DOTA is used as a complexing agent, especially for lanthanide ions. Its complexes have medical applications as contrast agents and cancer treatments.