Molecular Identity
Phentolamine
3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol
PubChem CID: 5775
Phentolamine is a substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An alpha-adrenergic antagonist, it is used for the treatment of hypertension. It has a role as a vasodilator agent and an alpha-adrenergic antagonist. It is a member of imidazoles, a member of phenols, a substituted aniline and a tertiary amino compound.
2D Structure
Properties
C17H19N3O
Molecular Formula
281.35
Molecular Weight
g/mol
281.1528
Exact Mass
Da
2.6
XLogP
Drug-like (Lipinski: < 5)
47.9
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
363
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)OIsomeric SMILES
SMILES: CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)OSynonyms(20)
phentolamine50-60-2RegitinDibasinFentolaminFentolaminaRogitinePhentolaminumC 7337 CibaPhentolamin2-(N-(m-Hydroxyphenyl)-p-toluidinomethyl)imidazolineC 7337DTXSID40234622-(m-Hydroxy-N-p-tolylanilinomethyl)-2-imidazoline3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Phentolamine
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