Binder Information

Binder General Information

Binder ID

B6H0OS

Binder Name

1,1'-Diethyl-3,3,3',3'-tetramethylindocarbocyanine iodide

Synonyms

C3-indocyanine; Astrophloxine; CHEMBL467894; Indocarbocyanine(C3); C3-DI (C3-di-indolenine); MFCD22573598; J-008291; Q27123556

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Binder Type

Small molecular drug

Structure

2D MOL

Formula

C27H33IN2

Canonical SMILES

CCN\\1C2=CC=CC=C2C(/C1=C\\C=C\\C3=[N+](C4=CC=CC=C4C3(C)C)CC)(C)C.[I-]

InChI

1S/C27H33N2.HI/c1-7-28-22-16-11-9-14-20(22)26(3,4)24(28)18-13-19-25-27(5,6)21-15-10-12-17-23(21)29(25)8-2;/h9-19H,7-8H2,1-6H3;1H/q+1;/p-1

InChIKey

LGRNGKUSEZTBMB-UHFFFAOYSA-M

PubChem Compound ID

16212367

ChEBI ID

CHEBI:52694

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