Chemical Component Summary

Name2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-N-(2',3'-DIOXOPROPYL)BENZAMIDE
Identifiers5-(bis(2-bromoethyl)amino)-N-(2,3-dioxopropyl)-2,4-dinitro-benzamide
FormulaC14 H14 Br2 N4 O7
Molecular Weight510.092
TypeNON-POLYMER
Isomeric SMILESc1c(c(cc(c1N(CCBr)CCBr)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCC(=O)C=O
InChIInChI=1S/C14H14Br2N4O7/c15-1-3-18(4-2-16)12-5-10(14(23)17-7-9(22)8-21)11(19(24)25)6-13(12)20(26)27/h5-6,8H,1-4,7H2,(H,17,23)
InChIKeyLECLJMCDJUEAKI-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count0
Bond Count41
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB04138 
Name5-[Bis(2-bromoethyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitrobenzamide
Groups experimental
Synonyms
  • 2,4-Dinitro,5-[bis(2-bromoethyl)amino]-N-(2',3'-dioxopropyl)benzamide
  • 5-[Bis(2-bromoethyl)amino]-N-(2,3-dioxopropyl)-2,4-dinitrobenzamide

Drug Targets

NameTarget SequencePharmacological ActionActions
Oxygen-insensitive NAD(P)H nitroreductaseMDIISVALKRHSTKAFDASKKLTPEQAEQIKTLLQYSPSSTNSQPWHFIV...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 5287756