Lu-DOTA-TOC

cas: 321835-55-6 — see every product listed under this CAS number, including other names

Lu-DOTA-TOC (CAS 321835-55-6) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Creative Peptides.

brandCreative Peptides
catalog numberCP-M34140625H
cas321835-55-6
sizeon request
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Structural formula: {0} (CAS {1})

2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;lutetium-177(3+) (CAS 321835-55-6) is a chemical compound with the molecular formula C65H89LuN14O18S2 and a molecular weight of 1595.6 g/mol. IUPAC name: 2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;lutetium-177(3+). InChIKey: XOPYQJXRGHFPOH-NZMVMCJSSA-K.

Identity
Molecular formulaC65H89LuN14O18S2
Molecular weight1595.6 g/mol
IUPAC name2-[4-[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-7,10-bis(carboxylatomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;lutetium-177(3+)
InChIKeyXOPYQJXRGHFPOH-NZMVMCJSSA-K
SMILESC[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])C(=O)N[C@H](CO)[C@@H](C)O)O.[177Lu+3]

Computed by PubChem (NCBI)

Synonyms: Dotatoc Lu-177, (177Ludota)-toc, Edotreotide lutetium Lu-177, Lutetium Lu-177-edotreotide, Lutetium Lu-177 DOTA-Tyr3-octreotide, (177)Lu-DOTATOC, Lutetium lu177 edotreotide, Lutetium lu177 edotreotide [USAN], Lutetium Lu 177-edotreotide, 177Lu-DOTATOC