CHEBI:18921 - 1,3-dinitroglycerol

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ChEBI Name 1,3-dinitroglycerol
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
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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
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.
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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)
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-glyceryl dinitrate ChemIDplus
glyceryl-1,3-dinitrate ChemIDplus
Manual Xref Database
CPD-145 MetaCyc
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Registry Numbers Types Sources
1784163 Reaxys Registry Number Reaxys
623-87-0 CAS Registry Number ChemIDplus
Citations Waiting for 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