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CHEBI:142127 - nitroproston

ChEBI IDCHEBI:142127
ChEBI Namenitroproston
Stars
DefinitionA nitro compound obtained by the formal condensation of prostaglandin E2 with 1,3-dinitroglycerol.
Last Modified14 September 2018
Submittermwilliams
DownloadsMolfile
FormulaC23H36N2O11
Net Charge0
Average Mass516.544
Monoisotopic Mass516.23191
SMILESCCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-]
InChIInChI=1S/C23H36N2O11/c1-2-3-6-9-17(26)12-13-20-19(21(27)14-22(20)28)10-7-4-5-8-11-23(29)36-18(15-34-24(30)31)16-35-25(32)33/h4,7,12-13,17-20,22,26,28H,2-3,5-6,8-11,14-16H2,1H3/b7-4-,13-12+/t17-,19+,20+,22+/m0/s1
InChIKeySGMBTYBNUOWYOV-CXZSOYKBSA-N
Roles Classification
Applications:
anti-asthmatic drug  A drug used to treat asthma.
bronchodilator agent  An agent that causes an increase in the expansion of a bronchus or bronchial tubes.
ChEBI Ontology
Outgoing Relation(s)
nitroproston (CHEBI:142127) has functional parent 1,3-dinitroglycerol (CHEBI:18921)
nitroproston (CHEBI:142127) has functional parent prostaglandin E2 (CHEBI:15551)
nitroproston (CHEBI:142127) has role anti-asthmatic drug (CHEBI:49167)
nitroproston (CHEBI:142127) has role bronchodilator agent (CHEBI:35523)
nitroproston (CHEBI:142127) is a carboxylic ester (CHEBI:33308)
nitroproston (CHEBI:142127) is a nitro compound (CHEBI:35715)
nitroproston (CHEBI:142127) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
1,3-bis(nitrooxy)propan-2-yl (5Z,11α,13E,15S)-11,15-dihydroxy-9-oxoprosta-5,13-dien-1-oate
Synonyms  Source
prostaglandin E2 1,3-bis(nitrooxy)prop-2-yl esterChEBI
nitroprostonChEBI
Manual XrefsDatabases
US2015141505Patent
Registry NumbersSources
Reaxys:19341527Reaxys
Citations