2-[(4-Isothiocyanatophenyl)methyl]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid, 95%, 95%

cas: 127985-74-4 — see every product listed under this CAS number, including other names

2-[(4-Isothiocyanatophenyl)methyl]-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid, 95%, 95% (CAS 127985-74-4) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 25mg, 50mg, 100mg, 250mg. Offered by: Chemat.

• 2D
• 3D

2-[4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS 127985-74-4) is a chemical compound with the molecular formula C24H33N5O8S and a molecular weight of 551.6 g/mol. IUPAC name: 2-[4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid. InChIKey: UDOPJKHABYSVIX-UHFFFAOYSA-N.

Identity

Molecular formula	C24H33N5O8S
Molecular weight	551.6 g/mol
IUPAC name	2-[4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
InChIKey	UDOPJKHABYSVIX-UHFFFAOYSA-N
SMILES	C1CN(CCN(C(CN(CCN1CC(=O)O)CC(=O)O)CC2=CC=C(C=C2)N=C=S)CC(=O)O)CC(=O)O

Computed by PubChem (NCBI)

Synonyms: (p-SCN-Bn)-dota, p-SCN-Bz-dota, p-SCN-Bn-DOTA, orb1691845, orb2900955, UDOPJKHABYSVIX-UHFFFAOYSA-N

Related forms of this compound

2-[(6S)-4,7,10-tris(carboxymethyl)-6-[(4-isothiocyanatophenyl)methyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid C₂₄H₃₃N₅O₈S