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CHEBI:18921 - 1,3-dinitroglycerol

ChEBI IDCHEBI:18921
ChEBI Name1,3-dinitroglycerol
Stars
DefinitionA dinitroglycerol that is glycerol in which both of the primary hydroxy groups have been converted to the corresponding nitrate estes.
Last Modified24 May 2024
DownloadsMolfile
FormulaC3H6N2O7
Net Charge0
Average Mass182.088
Monoisotopic Mass182.01750
SMILESO=[N+]([O-])OCC(O)CO[N+](=O)[O-]
InChIInChI=1S/C3H6N2O7/c6-3(1-11-4(7)8)2-12-5(9)10/h3,6H,1-2H2
InChIKeyASIGVDLTBLZXNC-UHFFFAOYSA-N
Roles Classification
Application:
vasodilator agent  A drug used to cause dilation of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
1,3-dinitroglycerol (CHEBI:18921) has role vasodilator agent (CHEBI:35620)
1,3-dinitroglycerol (CHEBI:18921) is a dinitroglycerol (CHEBI:23821)
1,3-dinitroglycerol (CHEBI:18921) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
nitroproston (CHEBI:142127) has functional parent 1,3-dinitroglycerol (CHEBI:18921)
IUPAC Name 
2-hydroxypropane-1,3-diyl dinitrate
Synonyms  Source
1,2,3-propanetriol, 1,3-dinitrateChemIDplus
1,2,3-propanetriol 1,3-dinitrateChemIDplus
1,3-dinitroglycerinChemIDplus
glyceryl-1,3-dinitrateChemIDplus
1,3-DngChemIDplus
1,3-glyceryl dinitrateChemIDplus
UniProt Name  Source
1,3-dinitroglycerolUniProt
Manual XrefsDatabases
CPD-145MetaCyc
Registry NumbersSources
Reaxys:1784163Reaxys
CAS:623-87-0ChemIDplus
Citations