Edotreotide

cas: 204318-14-9 — see every product listed under this CAS number, including other names

Edotreotide (CAS 204318-14-9) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Creative Peptides.

brandCreative Peptides
catalog numberCP-10-101-210
cas204318-14-9
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(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid (CAS 204318-14-9) is a chemical compound with the molecular formula C65H92N14O18S2 and a molecular weight of 1421.6 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(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid. InChIKey: RZHKDBRREKOZEW-AAXZNHDCSA-N.

Identity
Molecular formulaC65H92N14O18S2
Molecular weight1421.6 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(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
InChIKeyRZHKDBRREKOZEW-AAXZNHDCSA-N
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

Computed by PubChem (NCBI)

Synonyms: Edotreotide, DOTATOC, Edotreotida, edotreotidum, DOTA-Tyr3-octreotide, (DOTA(0)-Phe(1)-Tyr(3))octreotide, Edotreotide [USAN], Edotreotide [USAN:INN], DOTA-TOC, Dota-(tyr3)-octreotide

Also listed as

Edotreotide/ 96.95% (existing batch purity) TargetMol CAS 204318-14-9
DOTA–(Tyr³)–Octreotide GLPBio CAS 204318-14-9
2,2',2''-(10-(2-(((R)-1-(((4R,7S,10S,13R,16S,19R)-13-((1H-Indol-3-yl)methyl)-10-(4-aminobutyl)-4-(((2R,3R)-1,3-dihydroxybutan-2-yl)carbamoyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid, 98%, 98% Chemat CAS 204318-14-9
Edotreotide, 98.15% MedChemExpress CAS 204318-14-9
Edotreotide trifluoroacetate Biosynth CAS 204318-14-9 (free base)