CHEBI:142127 - nitroproston

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ChEBI Name nitroproston
ChEBI ID CHEBI:142127
Definition A nitro compound obtained by the formal condensation of prostaglandin E2 with 1,3-dinitroglycerol.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
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Formula C23H36N2O11
Net Charge 0
Average Mass 516.540
Monoisotopic Mass 516.23191
InChI InChI=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
InChIKey SGMBTYBNUOWYOV-CXZSOYKBSA-N
SMILES [C@@H]1(C(C[C@H]([C@@H]1/C=C/[C@H](CCCCC)O)O)=O)C/C=C\CCCC(OC(CO[N+]([O-])=O)CO[N+](=O)[O-])=O
Roles Classification
Application(s): 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.
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ChEBI Ontology
Outgoing 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 Sources
nitroproston ChEBI
prostaglandin E2 1,3-bis(nitrooxy)prop-2-yl ester ChEBI
Manual Xref Database
US2015141505 Patent
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Registry Number Type Source
19341527 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
19537176 PubMed citation Europe PMC
29521215 PubMed citation Europe PMC
Last Modified
14 September 2018