Name: Name:1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-aminophenyl)methyl]-, (2S)-
Brand: Angene
SKU: AG0022NH
Rating: 90 (10 reviews)

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-aminophenyl)methyl]-, (2S)-

CAS No.:

181065-46-3

Catalog Number:

AG0022NH

Molecular Formula:

C23H35N5O8

Molecular Weight:

509.5527

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Purity

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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:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

509.249g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

509.56g/mol

Monoisotopic Mass:

509.249g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

188A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

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