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127985-74-4 | 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraaceticacid, 2-[(4-isothiocyanatophenyl)methyl]-
CAS No: 127985-74-4 Catalog No: AG000XNK MDL No:
Product Description
Catalog Number:
AG000XNK
Chemical Name:
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraaceticacid, 2-[(4-isothiocyanatophenyl)methyl]-
CAS Number:
127985-74-4
Molecular Formula:
C24H33N5O8S
Molecular Weight:
551.6125
IUPAC Name:
2-[4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
InChI:
InChI=1S/C24H33N5O8S/c30-21(31)13-26-5-6-27(14-22(32)33)9-10-29(16-24(36)37)20(12-28(8-7-26)15-23(34)35)11-18-1-3-19(4-2-18)25-17-38/h1-4,20H,5-16H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)
InChI Key:
UDOPJKHABYSVIX-UHFFFAOYSA-N
SMILES:
S=C=Nc1ccc(cc1)CC1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O
Properties
Complexity:
863
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
551.205g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
551.615g/mol
Monoisotopic Mass:
551.205g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
207A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-7.2
Literature
| Title | Journal |
|---|---|
| In vitro and in vivo comparison of DTPA- and DOTA-conjugated antiferritin monoclonal antibody for imaging and therapy of pancreatic cancer. | Nuclear medicine and biology 20070401 |
| PET imaging of soluble yttrium-86-labeled carbon nanotubes in mice. | PloS one 20070101 |
| 90Y Labeling of monoclonal antibody MOv18 and preclinical validation for radioimmunotherapy of human ovarian carcinomas. | Cancer immunology, immunotherapy : CII 20051201 |
| Targeted actinium-225 in vivo generators for therapy of ovarian cancer. | Cancer research 20030815 |
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