The Drug-Drug Interactions Ontology

Last uploaded: February 11, 2016
Preferred Name

pentaerythritol tetranitrate

Synonyms

pentaerythritylium tetranitricum

PETN

C5H8N4O12

3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate

pentaerithrityli tetranitras

neopentanetetrayl nitrate

2,2-bis(hydroxymethyl)-1,3-propanediol tetranitrate

PENT

pentaerithrityl tetranitrate

2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate

penthrite

tetranitropentaerythritol

nitropentaerythritol

tetranitrate de pentaerithrityle

corpent

tetranitrato de pentaeritritilo

nitropenta

1,3-dinitrato-2,2-bis(nitratomethyl)propane

2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate ester

nitropentaerythrite

TEN

ID

http://purl.obolibrary.org/obo/CHEBI_25879

Definition

A pentaerythritol nitrate in which all four hydroxy groups of pentaerythritol have been converted to the corresponding nitrate ester. It is a vasodilator with properties similar to those of glyceryl trinitrate, but with a more prolonged duration of action, and is used for treatment of angina pectoris. It is also one of the most powerful high explosives known and is a component of the plastic explosive known as Semtex.

has role

http://purl.obolibrary.org/obo/CHEBI_63490

http://purl.obolibrary.org/obo/CHEBI_35620

InChI

InChI=1S/C5H8N4O12/c10-6(11)18-1-5(2-19-7(12)13,3-20-8(14)15)4-21-9(16)17/h1-4H2

InChIKey

InChIKey=TZRXHJWUDPFEEY-UHFFFAOYSA-N

label

pentaerythritol tetranitrate

prefixIRI

obo2:CHEBI_25879

prefLabel

pentaerythritol tetranitrate

SMILES

[O-][N+](=O)OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O

Synonym

pentaerythritylium tetranitricum

PETN

C5H8N4O12

3-(nitrooxy)-2,2-bis[(nitrooxy)methyl]propyl nitrate

pentaerithrityli tetranitras

neopentanetetrayl nitrate

2,2-bis(hydroxymethyl)-1,3-propanediol tetranitrate

PENT

pentaerithrityl tetranitrate

2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate

penthrite

tetranitropentaerythritol

nitropentaerythritol

tetranitrate de pentaerithrityle

corpent

tetranitrato de pentaeritritilo

nitropenta

1,3-dinitrato-2,2-bis(nitratomethyl)propane

2,2-bis((nitrooxy)methyl)-1,3-propanediol dinitrate ester

nitropentaerythrite

TEN

xref

CASRN:78-11-5

ChEMBL:579621

Reaxys:1716886

Wikipedia:Pentaerythritol_tetranitrate

NIST Chemistry WebBook:78-11-5

KEGG DRUG:D01721

subClassOf

http://purl.obolibrary.org/obo/dinto_000055

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http://purl.bioontology.org/ontology/SNMI/C-81570 SNMI LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/386836006 SNOMEDCT LOOM
http://purl.bioontology.org/ontology/VANDF/4018459 VANDF LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000146783 NDFRT LOOM
http://purl.bioontology.org/ontology/MESH/D010417 MESH LOOM
http://purl.bioontology.org/ontology/NDDF/000686 NDDF LOOM
http://purl.bioontology.org/ontology/RCD/bl4.. RCD LOOM
https://bioportal.bioontology.org/ontologies/FTDM.owl#pentaerythritol_tetranitrate FASTO LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C47660 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C47660 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C47660 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C47660 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C47660 NCIT LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C47660 NCIT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D02.033.455.706.690 RH-MESH LOOM
http://purl.obolibrary.org/obo/CHEBI_25879 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_25879 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_25879 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_25879 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_25879 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_25879 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_25879 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_25879 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_25879 GO-PLUS LOOM
http://purl.obolibrary.org/obo/CHEBI_25879 GO-PLUS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_25879 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_25879 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_25879 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_25879 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_25879 GO-PLUS LOOM
http://purl.obolibrary.org/obo/CHEBI_25879 GO-PLUS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_25879 GO-PLUS LOOM
http://purl.obolibrary.org/obo/CHEBI_25879 GO-PLUS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_25879 GO-PLUS LOOM
http://purl.obolibrary.org/obo/CHEBI_25879 GO-PLUS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_25879 GO-PLUS LOOM
http://purl.obolibrary.org/obo/CHEBI_25879 GO-PLUS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_25879 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_25879 CHEBI SAME_URI
http://www.co-ode.org/ontologies/galen#PentaerythritolTetranitrate GALEN LOOM
http://purl.bioontology.org/ontology/RXNORM/7992 RXNORM LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D010417 RH-MESH LOOM