RHO

TETRAMETHYLRHODAMINE-5-MALEIMIDE

Created: 2001-05-23
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count0
Bond Count65
Aromatic Bond Count12
2D diagram of RHO
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Chemical Component Summary

NameTETRAMETHYLRHODAMINE-5-MALEIMIDE
SynonymsTMR
Systematic Name (OpenEye OEToolkits)2-[3,6-bis(dimethylamino)-1H-xanthen-9-yl]-5-(2,5-dioxopyrrol-1-yl)benzoic acid
FormulaC28 H25 N3 O5
Molecular Weight483.515
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1C=CC(=O)N1c5ccc(C=2c4c(OC=3C=2CC=C(N(C)C)C=3)cc(cc4)N(C)C)c(C(=O)O)c5
SMILESCACTVS3.341CN(C)C1=CCC2=C(c3ccc(cc3OC2=C1)N(C)C)c4ccc(cc4C(O)=O)N5C(=O)C=CC5=O
SMILESOpenEye OEToolkits1.5.0CN(C)c1ccc2c(c1)OC3=CC(=CCC3=C2c4ccc(cc4C(=O)O)N5C(=O)C=CC5=O)N(C)C
Canonical SMILESCACTVS3.341 CN(C)C1=CCC2=C(c3ccc(cc3OC2=C1)N(C)C)c4ccc(cc4C(O)=O)N5C(=O)C=CC5=O
Canonical SMILESOpenEye OEToolkits1.5.0 CN(C)c1ccc2c(c1)OC3=CC(=CCC3=C2c4ccc(cc4C(=O)O)N5C(=O)C=CC5=O)N(C)C
InChIInChI1.03 InChI=1S/C28H25N3O5/c1-29(2)16-5-9-20-23(14-16)36-24-15-17(30(3)4)6-10-21(24)27(20)19-8-7-18(13-22(19)28(34)35)31-25(32)11-12-26(31)33/h5-9,11-15H,10H2,1-4H3,(H,34,35)
InChIKeyInChI1.03 KGFLZYXDJDOIEE-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB03903 
NameTmr
Groups experimental
SynonymsTmr

Drug Targets

NameTarget SequencePharmacological ActionActions
Actin, alpha skeletal muscleMCDEDETTALVCDNGSGLVKAGFAGDDAPRAVFPSIVGRPRHQGVMVGMG...unknown
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 5289288