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Zopocianine

Chemical FDA Substance Registry (openFDA)
Chemical Identification
CAS Number2206660-94-6
INCI Name4-[(2E)-2-[(2E)-2-[2-[4-[(2S)-2-carboxy-2-[[(2S)-2-[3-[2-[2-[[(4S)-4-carboxy-4-[[(1S)-1,3-dicarboxypropyl]carbamoylamino]butanoyl]amino]ethoxy]ethoxy]propanoylamino]-3-phenylpropanoyl]amino]ethyl]phenoxy]-3-[(E)-2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)indol-1-ium-2-yl]ethenyl]cyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-5-sulfoindol-1-yl]butane-1-sulfonate
PubChem CID 169490752
Molecular FormulaC74H93N7O27S4
InChIKeyInChI=1S/C74H93N7O27S4/c1-7
SMILESCC1(C2=C(C=CC(=C2)S(=O)(=O)O)[N+](=C1/C=C/C3=C(/C(=C/C=C/4\C(C5=C(N4CCCCS(=O)(=O)[O-])C=CC(=C5)S(=O)(=O)O)(C)C)/CCC3)OC6=CC=C(C=C6)C[C@@H](C(=O)O)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CCOCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)CCCCS(=O)(=O)O)C
Known Aliases (6)
Common Name
OTL-0078 OTL78 zopocianine [INN] ZOPOCIANINE [USAN]
Scientific Name
4-{2-[(E)-(2-{4-[(2S,5S,20S,24S)-5-benzyl-2,20,24,26-tetracarboxy-4,7,17,22-tetraoxo-10,13-dioxa-3,6,16,21,23-pentaazahexacosyl]phenoxy}-3-{(E)-2-[(2E)-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-1,3-dihydro-2H-indol-2-ylidene]ethylidene}cyclohex-1-en-1-yl)ethenyl]-3,3-dimethyl-5-sulfo-3H-indol-1-ium-1-yl}butane-1-sulfonate L-Tyrosine, N-[[[(1S)-1,3-dicarboxypropyl]amino]carbonyl]-L-g-glutamyl-3-[2-(2-aminoethoxy)ethoxy]propanoyl-L-phenylalanyl-O-[6-[2-[1,3-dihydro-3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-2H-indol-2-ylidene]ethylidene]-2-[2-[3,3-dimethyl-5-sulfo-1-(4-sulfobutyl)-3H-indolium-2-yl]ethenyl]-1-cyclohexen-1-yl]-, inner salt
Data Sources (1)
Source Source ID Name in Source Properties
FDA Substance Registry (openFDA) UD9V5S9M7A Zopocianine CAS: 2206660-94-6
INN: 12980
USAN: LM-65
SMS_ID: 300000051690
PUBCHEM: 169490752
FDA UNII: UD9V5S9M7A
NCI_THESAURUS: C203117
Record Info
IDWuxPbWyonei5WZBvyugttN
CreatedApril 10, 2026, 9:49 p.m.
ModifiedApril 10, 2026, 11:32 p.m.
EnrichedApril 11, 2026, 12:09 a.m.
Data SourceFDA Substance Registry (openFDA)