CHEBI:2691 - isoamyl nitrite

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ChEBI Name isoamyl nitrite
ChEBI ID CHEBI:2691
Definition A nitrite ester having isopentyl as the alkyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C5H11NO2
Net Charge 0
Average Mass 117.14638
Monoisotopic Mass 117.07898
InChI InChI=1S/C5H11NO2/c1-5(2)3-4-8-6-7/h5H,3-4H2,1-2H3
InChIKey OWFXIOWLTKNBAP-UHFFFAOYSA-N
SMILES CC(C)CCON=O
Roles Classification
Application(s): vasodilator agent
A drug used to cause dilation of the blood vessels.
antihypertensive agent
Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
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ChEBI Ontology
Outgoing isoamyl nitrite (CHEBI:2691) has functional parent isoamylol (CHEBI:15837)
isoamyl nitrite (CHEBI:2691) has role antihypertensive agent (CHEBI:35674)
isoamyl nitrite (CHEBI:2691) has role vasodilator agent (CHEBI:35620)
isoamyl nitrite (CHEBI:2691) is a nitrite esters (CHEBI:46649)
IUPAC Name
3-methylbutyl nitrite
Synonyms Sources
3-methylbutanol nitrite NIST Chemistry WebBook
3-Methylbutyl nitrite DrugBank
Amilnitrite DrugBank
Amyl nitrite I DrugBank
Amyl nitrosum DrugBank
IPN DrugBank
Isoamyl nitrite KEGG COMPOUND
isopentyl nitrite NIST Chemistry WebBook
Nitramyl ChemIDplus
nitrous acid, 3-methylbutyl ester ChemIDplus
nitrous acid, isopentyl ester NIST Chemistry WebBook
Pentyl nitrite DrugBank
Manual Xrefs Databases
C07457 KEGG COMPOUND
D00517 KEGG DRUG
DB01612 DrugBank
View more database links
Registry Numbers Types Sources
110-46-3 CAS Registry Number DrugBank
110-46-3 CAS Registry Number KEGG DRUG
110-46-3 CAS Registry Number ChemIDplus
110-46-3 CAS Registry Number NIST Chemistry WebBook
164559 Gmelin Registry Number Gmelin
969510 Beilstein Registry Number Beilstein
Last Modified
06 January 2010