![Tetraxetan[泰曲西坦]](https://newcny.com/wp-content/uploads/2024/07/60239-18-1.svg)
CAS Registry Number®
60239-18-1
CAS Name
DOTA
Molecular Formula
C16H28N4O8
Molecular Mass
404.42
Other Names and Identifiers
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)
InChIKey
InChIKey=WDLRUFUQRNWCPK-UHFFFAOYSA-N
SMILES
C(C(O)=O)N1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1
Canonical SMILES
O=C(O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1
Other Names for this Substance
- 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid
- 1,4,7,10-Tetraazacyclododecane-N,N′,N′′,N′′′-tetraacetic acid
- DOTA
- NSC 681107
- Tetraxetan
- 1,4,7,10-Tetra(carboxymethyl)-1,4,7,10-tetraazacyclododecane
- 1,4,7,10-Tetraazacyclodecane-1,4,7,10-tetraacetic acid
- 2-[4,7,10-Tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Deleted or Replaced CAS Registry Numbers
105416-43-1, 1233226-24-8
