2,2',2''-(10-(2-((2,5-Dioxopyrrolidin-1-yl)oxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid

Catalog Number	ACM170908813
CAS	170908-81-3
Synonyms	DOTA-NHS Ester; Tetraxetan N-Hydroxysuccinimide; DOTA-NHS-Ester
IUPAC Name	2-[4,10-bis(carboxymethyl)-7-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Molecular Weight	501.49
Molecular Formula	C20H31N5O10
InChI	XSVWFLQICKPQAA-UHFFFAOYSA-N
InChI Key	InChI=1S/C20H31N5O10/c26-15-1-2-16(27)25(15)35-20(34)14-24-9-7-22(12-18(30)31)5-3-21(11-17(28)29)4-6-23(8-10-24)13-19(32)33/h1-14H2,(H,28,29)(H,30,31)(H,32,33)
Boiling Point	743.7±70.0 °C(Predicted)
Purity	98%
Isomeric SMILES	C1CC(=O)N(C1=O)OC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O