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Home/Compounds/API/Edotreotide
C65H92N14O18S2
1421.6 g/mol
API

Edotreotide

CAS204318-14-9
Category
API
Compound Class
Peptide
Primary Use
Pharmaceutical Raw Material

Edotreotide is a cyclic peptide conjugate of octreotide and DOTA, designed as a pharmaceutical raw material for use in radiolabeling studies. Its complex structure features multiple amide bonds, a disulfide bridge, and a DOTA chelator capable of coordinating various radioisotopes.

Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.

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Related Compounds

StrongStructure SimilarSimilarity 0.89

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Identifiers
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

SMILES

C[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

Synonyms (12)
  • DOTATOC
  • 204318-14-9 (free base)
  • Dota-(tyr3)-octreotide
  • Edotreotida
  • Edotreotide
  • Edotreotide trifluoroacetate
  • edotreotidum