Name: Name:1-(4-isothiocyanatobenzyl)diethylenetriaminepentaacetic acid
Brand: Angene
SKU: AG009QRH
Rating: 90 (10 reviews)

1-(4-isothiocyanatobenzyl)diethylenetriaminepentaacetic acid

CAS No.:

102650-30-6

Catalog Number:

AG009QRH

Molecular Formula:

Molecular Weight:

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Product Description

Catalog Number:

AG009QRH

Chemical Name:

1-(4-isothiocyanatobenzyl)diethylenetriaminepentaacetic acid

CAS Number:

102650-30-6

MDL Number:

MFCD20134095

IUPAC Name:

2-[2-[bis(carboxymethyl)amino]ethyl-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid

InChI:

InChI=1S/C22H28N4O10S/c27-18(28)9-24(5-6-25(10-19(29)30)11-20(31)32)8-17(26(12-21(33)34)13-22(35)36)7-15-1-3-16(4-2-15)23-14-37/h1-4,17H,5-13H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t17-/m0/s1

InChI Key:

VAOYPHGXHKUTHC-KRWDZBQOSA-N

UNII:

5H79013Y15

Properties

Complexity:

826

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

540.153g/mol

Formal Charge:

Heavy Atom Count:

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Molecular Weight:

540.544g/mol

Monoisotopic Mass:

540.153g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

241A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-5.1

Literature

Title	Journal
Preclinical evaluation of monoclonal antibody 14C5 for targeting pancreatic cancer.	Cancer biotherapy & radiopharmaceuticals 20100401
Optimization of radioimmunotherapy of renal cell carcinoma: labeling of monoclonal antibody cG250 with 131I, 90Y, 177Lu, or 186Re.	Journal of nuclear medicine : official publication, Society of Nuclear Medicine 20040201