CHEBI:18921 - 1,3-dinitroglycerol

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ChEBI Name 1,3-dinitroglycerol ChEBI ID CHEBI:18921 Definition A dinitroglycerol that is glycerol in which both of the primary hydroxy groups have been converted to the corresponding nitrate estes. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C3H6N2O7 Net Charge 0 Average Mass 182.08890 Monoisotopic Mass 182.01750 InChI InChI=1S/C3H6N2O7/c6-3(1-11-4(7)8)2-12-5(9)10/h3,6H,1-2H2 InChIKey ASIGVDLTBLZXNC-UHFFFAOYSA-N SMILES OC(CO[N+]([O-])=O)CO[N+]([O-])=O Roles Classification Application(s): vasodilator agent A drug used to cause dilation of the blood vessels. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 nitroproston (CHEBI:142127) has functional parent 1,3-dinitroglycerol (CHEBI:18921) IUPAC Name 2-hydroxypropane-1,3-diyl dinitrate Synonyms Sources 1,2,3-propanetriol 1,3-dinitrate ChemIDplus 1,2,3-propanetriol, 1,3-dinitrate ChemIDplus 1,3-dinitroglycerin ChemIDplus 1,3-Dng ChemIDplus 1,3-GDN ChEBI 1,3-glyceryl dinitrate ChemIDplus glyceryl-1,3-dinitrate ChemIDplus Manual Xref Database CPD-145 MetaCyc View more database links Registry Numbers Types Sources 1784163 Reaxys Registry Number Reaxys 623-87-0 CAS Registry Number ChemIDplus Citations Types Sources 1423038 PubMed citation Europe PMC 16574505 PubMed citation Europe PMC 3130064 PubMed citation Europe PMC 8424819 PubMed citation Europe PMC Last Modified 14 September 2018