TNL

2,4,6-TRINITROTOLUENE


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Chemical Component Summary

Name2,4,6-TRINITROTOLUENE
SynonymsTNT
Identifiers2-methyl-1,3,5-trinitro-benzene
FormulaC7 H5 N3 O6
Molecular Weight227.131
TypeNON-POLYMER
Isomeric SMILESCc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChIInChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
InChIKeySPSSULHKWOKEEL-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count21
Aromatic Bond Count6

Drug Info: DrugBank

DrugBank IDDB01676 
NameTrinitrotoluene
Groups experimental
DescriptionTrinitrotoluene is an explosive chemical that can cause skin irritation and other toxic consequences.
Synonyms
  • Trinitrotoluene
  • TNT
  • α-TNT
  • 2,4,6-trinitrotoluene
  • 2,4,6-trinitrotoluol
Categories
  • Benzene Derivatives
  • Compounds used in a research, industrial, or household setting
  • Explosive Agents
CAS number118-96-7

Drug Targets

NameTarget SequencePharmacological ActionActions
Pentaerythritol tetranitrate reductaseMSAEKLFTPLKVGAVTAPNRVFMAPLTRLRSIEPGDIPTPLMGEYYRQRA...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 8376
ChEMBL CHEMBL1236345
ChEBI CHEBI:46053
CCDC/CSD URIKAI, XUSVOZ, ZZZMUC09, IZUZUZ01, URILAJ, ZZZMUC08, IZUZUZ02, URIKEM, URIJIP, URIHUZ, URIJEL, URILUD, TOZMUS, NIBJUF, IZUZUZ, ZZZMUC05, FONHOH, ZZZMUC01, URILIR, URIJAH, JURZUU, URIKOW, URIKUC, FETYAE, ZZZMUC06, URILEN, QINLEH, URILOX, DIFZOK, URIJUB, URIMAK