CHEBI:60608 - rhodamine B 5-isothiocyanate

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ChEBI Name rhodamine B 5-isothiocyanate ChEBI ID CHEBI:60608 Definition The 5-isomer of rhodamine B isothiocyanate. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H30ClN3O3S Net Charge 0 Average Mass 536.08500 Monoisotopic Mass 535.16964 InChI InChI=1S/C29H29N3O3S.ClH/c1-5-31(6-2)20-10-13-23-26(16-20)35-27-17-21(32(7-3)8-4)11-14-24(27)28(23)22-12-9-19(30-18-36)15-25(22)29(33)34;/h9-17H,5-8H2,1-4H3;1H InChIKey YVSWPCCVTYEEHG-UHFFFAOYSA-N SMILES [Cl-].CCN(CC)c1ccc2c(-c3ccc(cc3C(O)=O)N=C=S)c3ccc(cc3oc2c1)=[N+](CC)CC Roles Classification Application(s): fluorochrome A fluorescent dye used to stain biological specimens. (via rhodamine B isothiocyanate ) dye (via xanthene dye ) View more via ChEBI Ontology ChEBI Ontology Outgoing rhodamine B 5-isothiocyanate (CHEBI:60608) has role fluorochrome (CHEBI:51217) rhodamine B 5-isothiocyanate (CHEBI:60608) is a rhodamine B isothiocyanate (CHEBI:60604) IUPAC Name N-[9-(2-carboxy-4-isothiocyanatophenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium chloride Synonyms Sources rhodamine B isothiocyanate 5-isomer ChEBI RITC ChEBI Registry Numbers Types Sources 10753432 Beilstein Registry Number Beilstein 36877-69-7 CAS Registry Number ChemIDplus Citation Type Source 20371259 PubMed citation Europe PMC Last Modified 09 November 2010

General Comment 2010-11-09 The numbering of the 5-isocyanato substituent on the phenyl ring is based upon the numbering of the ring-closed lactone tautomer of the fluoroscein skeleton.