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COA COO

p-SCN-Bn-DOTA

Impurity

CAS Number

127985-74-4

Molecular Formula

C24H33N5O8S

Product format

Neat

Molecular Weight

551.62

API Family

Gadoteridol

Synonyms

127985-74-4; (p-SCN-Bn)-dota; p-SCN-Bz-dota; UNII-13KT123BYW; 13KT123BYW; 1, 4, 7, 10-Tetraazacyclododecane-1, 4, 7, 10-tetraacetic acid, 2-((4-isothiocyanatophenyl)methyl)-; 1, 4, 7, 10-Tetraazacyclododecane-1, 4, 7, 10-tetraacetic acid, 2-[(4-isothiocyanatophenyl)methyl]-; RefChem:196563; p-SCN-Bn-DOTA; 1, 4, 7, 10-Tetraazacyclododecane-1, 4, 7, 10-tetraaceticacid, 2-[(4-isothiocyanatophenyl)methyl]-; 2-[4, 7, 10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1, 4, 7, 10-tetrazacyclododec-1-yl]acetic acid; MFCD11112156; 2, 2', 2'', 2'''-(2-(4-Isothiocyanatobenzyl)-1, 4, 7, 10-tetraazacyclododecane-1, 4, 7, 10-tetrayl)tetraacetic acid; SCHEMBL210579; orb1691845; C24H33N5O8S; DTXSID10435844; s-2-(4-isothiocyanatobenzyl)-1, 4, 7 and 10-tetraazacyclododecane tetraacetic acid; UDOPJKHABYSVIX-UHFFFAOYSA-N; AKOS040756614

Iupac Name

2-[4, 7, 10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1, 4, 7 and 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)

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COA COO

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Synthesis

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