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181065-46-3 | 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-aminophenyl)methyl]-, (2S)-
CAS No: 181065-46-3 Catalog No: AG0022NH MDL No:
Product Description
Catalog Number:
AG0022NH
Chemical Name:
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-aminophenyl)methyl]-, (2S)-
CAS Number:
181065-46-3
Molecular Formula:
C23H35N5O8
Molecular Weight:
509.5527
IUPAC Name:
2-[6-[(4-aminophenyl)methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
InChI:
InChI=1S/C23H35N5O8/c24-18-3-1-17(2-4-18)11-19-12-27(15-22(33)34)8-7-25(13-20(29)30)5-6-26(14-21(31)32)9-10-28(19)16-23(35)36/h1-4,19H,5-16,24H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)
InChI Key:
VEYDUAGNNSZVTN-UHFFFAOYSA-N
SMILES:
OC(=O)CN1CCN(CCN(CCN([C@H](C1)Cc1ccc(cc1)N)CC(=O)O)CC(=O)O)CC(=O)O
Properties
Complexity:
746
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
509.249g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
509.56g/mol
Monoisotopic Mass:
509.249g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-9.2
Literature
| Title | Journal |
|---|---|
| Studies on efficacy of a novel 177Lu-labeled porphyrin derivative in regression of tumors in mouse model. | Current radiopharmaceuticals 20110401 |
| A novel 177Lu-labeled porphyrin for possible use in targeted tumor therapy. | Nuclear medicine and biology 20100701 |
| Physicochemical and MRI characterization of Gd3+-loaded polyamidoamine and hyperbranched dendrimers. | Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 20070301 |
| Radiolabeling of magnetic targeted carriers (MTC) with indium-111. | Nuclear medicine and biology 20031001 |
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