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(Q72504550)
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English
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid 1-(2,5-dioxo-1-pyrrolidinyl) ester
chemical compound
DOTA-NHS-ester
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical formula
C₂₀H₃₁N₅O₁₀
0 references
canonical SMILES
O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)ON2C(=O)CCC2=O)CCN(CC(=O)O)CC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
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)
0 references
InChIKey
XSVWFLQICKPQAA-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
170908-81-3
0 references
SureChEMBL ID
SCHEMBL560792
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XSVWFLQICKPQAA-UHFFFAOYSA-N
UNII
532QWX2588
1 reference
matched by identifier from
InChIKey
InChIKey
XSVWFLQICKPQAA-UHFFFAOYSA-N
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