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CHEBI:749617 - phentolamine hydrochloride

Default Structure
ChEBI IDCHEBI:749617
ChEBI Namephentolamine hydrochloride
Stars
Last Modified29 June 2026
Submitterchembl-etl
DownloadsMolfile
FormulaHCl.C17H19N3O
Net Charge0
Average Mass317.820
Monoisotopic Mass317.12949
SMILESCc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1.Cl
InChIInChI=1S/C17H19N3O.ClH/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H
InChIKeyTUEJFGFQYKDAPM-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
phentolamine hydrochloride (CHEBI:749617) is a aromatic amine (CHEBI:33860)
phentolamine hydrochloride (CHEBI:749617) is a tertiary amino compound (CHEBI:50996)
Synonym  Source
NSC-757431ChEMBL
Citations