Chemical Component Summary

NameRHODAMINE 6G
Identifiers(Z)-[9-(2-ethoxycarbonylphenyl)-6-ethylamino-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium
FormulaC28 H31 N2 O3
Molecular Weight443.557
TypeNON-POLYMER
Isomeric SMILESCCNc1cc2c(cc1C)C(=C3C=C(/C(=[NH+]\CC)/C=C3O2)C)c4ccccc4C(=O)OCC
InChIInChI=1S/C28H30N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29H,6-8H2,1-5H3/p+1/b30-24-
InChIKeyIWWWBRIIGAXLCJ-KRUMMXJUSA-O

Chemical Details

Formal Charge1
Atom Count64
Chiral Atom Count0
Bond Count67
Aromatic Bond Count23

Drug Info: DrugBank

DrugBank IDDB03825 
NameRhodamine 6G
Groups experimental
Synonyms
  • CI basic red 1
  • R6G
  • Basic red 1
  • Calcozine rhodamine 6GX
  • Rhodamine 6G
Categories
  • Antineoplastic Agents
  • Coloring Agents
  • Compounds used in a research, industrial, or household setting
  • Fluorescent Dyes
  • Heterocyclic Compounds, Fused-Ring
CAS number989-38-8

Drug Targets

NameTarget SequencePharmacological ActionActions
HTH-type transcriptional regulator QacRMNLKDKILGVAKELFIKNGYNATTTGEIVKLSESSKGNLYYHFKTKENLF...unknown
Acriflavine resistance protein BMPNFFIDRPIFAWVIAIIIMLAGGLAILKLPVAQYPTIAPPAVTISASYP...unknown
Multidrug resistance-associated protein 1MALRGFCSADGSDPLWDWNVTWNTSNPDFTKCFQNTVLVWVPCFYLWACF...unknownsubstrate
P-glycoprotein 1MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLY...unknownsubstrate
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 5464057
CCDC/CSD RUCFUT, JUDFIA, HOLHAU, ROKNOU, SASWAO, SASWES