EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:6824 - hexamethylenetetramine

Default Structure
ChEBI IDCHEBI:6824
ChEBI Namehexamethylenetetramine
Stars
DefinitionA polycyclic cage that is adamantane in which the carbon atoms at positions 1, 3, 5 and 7 are replaced by nitrogen atoms.
Last Modified22 February 2017
DownloadsMolfile
FormulaC6H12N4
Net Charge0
Average Mass140.190
Monoisotopic Mass140.10620
SMILESC1N2CN3CN1CN(C2)C3
InChIInChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
InChIKeyVKYKSIONXSXAKP-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
antibacterial drug  A drug used to treat or prevent bacterial infections.
Application:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
hexamethylenetetramine (CHEBI:6824) has role antibacterial drug (CHEBI:36047)
hexamethylenetetramine (CHEBI:6824) is a polyazaalkane (CHEBI:39474)
hexamethylenetetramine (CHEBI:6824) is a polycyclic cage (CHEBI:33640)
hexamethylenetetramine (CHEBI:6824) is a tetramine (CHEBI:39166)
Incoming Relation(s)
quaternium-15 (CHEBI:59607) has functional parent hexamethylenetetramine (CHEBI:6824)
IUPAC Name 
1,3,5,7-tetraazaadamantane
INNs  Source
metenaminaChemIDplus
methenamineChemIDplus
méthénamineChEBI
methenaminumChemIDplus
Synonyms  Source
1,3,5,7-tetraazatricyclo[3.3.1.13,7]decaneIUPAC
hexamethylenamineChemIDplus
hexamethylene tetramineChemIDplus
hexamethylenetetramineNIST Chemistry WebBook
HexamethylentetraminNIST Chemistry WebBook
hexamethylentetraminumChemIDplus
Brand Names  Source
UritoneChemIDplus
UrotropinChemIDplus
Manual XrefsDatabases
3344DrugCentral
D00393KEGG DRUG
HMDB0029598HMDB
LSM-5440LINCS
MethenamineWikipedia
US2762799Patent
US2762800Patent
Registry NumbersSources
Reaxys:2018Reaxys
Gmelin:26964Gmelin
CAS:100-97-0ChemIDplus
CAS:100-97-0NIST Chemistry WebBook
Citations