Products 1583289-85-3

CAS 1583289-85-3 appears in our catalog under these names: p-SCN-Bn-NOTA Trihydrochloride, Technical Grade, p–SCN–Bn–NOTA trihydrochloride, p-SCN-Bn-NOTA 3HCl 95%, 2,2',2''-(2-(4-Isothiocyanatobenzyl)-1,4,7-triazonane-1,4,7-triyl)triacetic acid trihydrochloride, 95%, 95%, p-SCN-Bn-NOTA (trihydrochloride), 99.62%. Offered by: TRC, GLPBio, Ambeed, Chemat, MedChemExpress. Available pack sizes: 10mg, 1mg, 5mg, 25mg, 50mg, 100mg, 250mg, 1g.

Structural formula: {0} (CAS {1})

2-[4,7-bis(carboxymethyl)-5-[(4-isothiocyanatophenyl)methyl]-1,4,7-triazonan-1-yl]acetic acid;trihydrochloride (CAS 1583289-85-3) is a chemical compound with the molecular formula C20H29Cl3N4O6S and a molecular weight of 559.9 g/mol. IUPAC name: 2-[4,7-bis(carboxymethyl)-5-[(4-isothiocyanatophenyl)methyl]-1,4,7-triazonan-1-yl]acetic acid;trihydrochloride. InChIKey: UJYWTIBZBSADFF-UHFFFAOYSA-N.

Identity
Molecular formulaC20H29Cl3N4O6S
Molecular weight559.9 g/mol
IUPAC name2-[4,7-bis(carboxymethyl)-5-[(4-isothiocyanatophenyl)methyl]-1,4,7-triazonan-1-yl]acetic acid;trihydrochloride
InChIKeyUJYWTIBZBSADFF-UHFFFAOYSA-N
SMILESC1CN(CC(N(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O.Cl.Cl.Cl

Computed by PubChem (NCBI)