phentolamine (CHEBI:8081)

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CHEBI:8081 - phentolamine

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ChEBI ID	CHEBI:8081
ChEBI Name	phentolamine
Stars
Definition	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 α-adrenergic antagonist, it is used for the treatment of hypertension.
Last Modified	22 February 2017
Downloads	Molfile

Formula	C17H19N3O
Net Charge	0
Average Mass	281.359
Monoisotopic Mass	281.15281
SMILES	Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1
InChI	InChI=1S/C17H19N3O/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)
InChIKey	MRBDMNSDAVCSSF-UHFFFAOYSA-N

Wikipedia

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	alpha-adrenergic antagonist An agent that binds to but does not activate α-adrenergic receptors thereby blocking the actions of endogenous or exogenous α-adrenergic agonists. α-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. anti-obesity agent Any substance which is used to reduce or control weight.
Applications:	vasodilator agent A drug used to cause dilation of the blood vessels. hyperglycemic agent A drug which increases the blood glucose level. alpha-adrenergic antagonist An agent that binds to but does not activate α-adrenergic receptors thereby blocking the actions of endogenous or exogenous α-adrenergic agonists. α-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma. ophthalmology drug Any compound used for the treatment of eye conditions or eye diseases. cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.

ChEBI Ontology

Outgoing Relation(s)
	phentolamine (CHEBI:8081) has role anti-obesity agent (CHEBI:74518)
	phentolamine (CHEBI:8081) has role cardiovascular drug (CHEBI:35554)
	phentolamine (CHEBI:8081) has role hyperglycemic agent (CHEBI:76916)
	phentolamine (CHEBI:8081) has role ophthalmology drug (CHEBI:66981)
	phentolamine (CHEBI:8081) has role vasodilator agent (CHEBI:35620)
	phentolamine (CHEBI:8081) has role α-adrenergic antagonist (CHEBI:37890)
	phentolamine (CHEBI:8081) is a imidazoles (CHEBI:24780)
	phentolamine (CHEBI:8081) is a phenols (CHEBI:33853)
	phentolamine (CHEBI:8081) is a substituted aniline (CHEBI:48975)
	phentolamine (CHEBI:8081) is a tertiary amino compound (CHEBI:50996)

IUPAC Name
3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol

INNs	Source
fentolamina	ChemIDplus
phentolamine	ChemIDplus
phentolamine	WHO MedNet
phentolaminum	ChemIDplus

Synonyms	Source
2-(N-(m-hydroxyphenyl)-p-toluidinomethyl)imidazoline	ChemIDplus
Phentolamin	ChEMBL
Phentolamine mesylate	KEGG COMPOUND

Brand Names	Source
Regitina	ChEBI
Regitine	ChemIDplus
Rogitine	ChEBI

Manual Xrefs	Databases
2142	DrugCentral
D00509	KEGG DRUG
D08362	KEGG DRUG
DB00692	DrugBank
HMDB0014830	HMDB
LSM-4022	LINCS
Phentolamine	Wikipedia
US2503059	Patent

Registry Numbers	Sources
Reaxys:272944	Reaxys
CAS:50-60-2	ChemIDplus

Citations