Compound: phentolamine
SMILES: Oc1cc(N(c2ccc(C)cc2)CC3=NCCN3)ccc1
InChIKey: MRBDMNSDAVCSSF-UHFFFAOYSA-N
Synonyms: phentolamine, 50-60-2, Regitin, Dibasin, Fentolamin, Fentolamina, Rogitine, Phentolaminum, C 7337 Ciba, Phentolamin, 2-(N-(m-Hydroxyphenyl)-p-toluidinomethyl)imidazoline, C 7337, 2-(m-Hydroxy-N-p-tolylanilinomethyl)-2-imidazoline, 3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol, 2-((N-(m-Hydroxyphenyl)-p-toluidino)methyl)-2-imidazoline, 2-(N'-p-Tolyl-N'-m-hydroxyphenylaminomethyl)-2-imidazoline, DTXSID4023462, Z468598HBV, Phenol, m-(N-(2-imidazolin-2-ylmethyl)-p-toluidino)-, CHEBI:8081, DTXCID703462, Phenol, 3-(((4,5-dihydro-1H-imidazol-2-yl)methyl)(4-methylphenyl)amino)-, Phenol, 3-[[(4,5-dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino]-, Regityn, 3-((4,5-DIHYDRO-1H-IMIDAZOL-2-YLMETHYL)(4-METHYLPHENYL)AMINO)PHENOL, 3-(4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphenyl)amino)phenol, 3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphenyl)amino]phenol, RefChem:55850, Phentolamine Mono hydrochloride, Mono-hydrochloride, Phentolamine, C04AB01, V03AB36, 2-(N-p'-Tolyl-N-(m'-hydroxyphenyl)aminomethyl)imidazoline, 200-053-1, Regitine, 3-{[(4,5-Dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino}phenol, 3-(((4,5-Dihydro-1H-imidazol-2-yl)methyl)(p-tolyl)amino)phenol, Phentolamine (INN), MLS000040874, 2-Imidazoline, 2-((N-(m-hydroxyphenyl)-p-toluidino)methyl)-, 3-[[(4,5-dihydro-1h-imidazol-2-yl)methyl](4-methylphenyl)amino]phenol, NCGC00016311-10, Phenotolamine, Phentalamine, Regitipe, SMR000058051, PHENTOLAMINE [INN], Phentolamine [INN:BAN], Fentolamina [INN-Spanish], Phentolaminum [INN-Latin], Fentolamine, CAS-50-60-2, Phentolamine mesylas, HSDB 3382, EINECS 200-053-1, BRN 0272944, Regitina, phentol amine, UNII-Z468598HBV, Rogitine (Salt/Mix), Spectrum_000077, Phentolamine (Standard), Opera_ID_116, Prestwick0_000230, Prestwick1_000230, Prestwick2_000230, Prestwick3_000230, Spectrum3_000788, Spectrum4_000899, Spectrum5_001704, PHENTOLAMINE [MI], CHEMBL597, PHENTOLAMINE [HSDB], cid_5775, SCHEMBL5653, PHENTOLAMINE [VANDF], Lopac0_000982, Ryzumvi (opthalmic solution), BSPBio_000279, BSPBio_001435, BSPBio_002496, GTPL502, KBioGR_001338, KBioSS_000477, 5-25-09-00365 (Beilstein Handbook Reference), cid_91430, MLS001201741, DivK1c_000807, PHENTOLAMINE [WHO-DD], SPBio_002200, BPBio1_000307, orb1299012, SCHEMBL29395338, BCBcMAP01_000014, BDBM31046, KBio1_000807, KBio2_000477, KBio2_003045, KBio2_005613, KBio3_001716, NINDS_000807, HMS1791H17, HMS1989H17, HMS2089E03, HMS2235D17, HMS3372H21, HMS3402H17, Tox21_110364, 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methyl-anilino]phenol, BBL010978, EBC-26433, HY-12717R, STK802099, AKOS004119917, Tox21_110364_1, CCG-205062, DB00692, FP37047, SDCCGSBI-0050955.P005, CAS-73-05-2, IDI1_000807, SMP1_000236, NCGC00016311-01, NCGC00016311-02, NCGC00016311-03, NCGC00016311-04, NCGC00016311-05, NCGC00016311-06, NCGC00016311-07, NCGC00016311-08, NCGC00016311-09, NCGC00016311-11, NCGC00016311-12, NCGC00016311-13, NCGC00016311-14, NCGC00016311-15, NCGC00016311-16, NCGC00016311-17, NCGC00016311-19, NCGC00016311-33, NCGC00021804-06, NCGC00021804-07, NCGC00021804-08, NCGC00021804-09, NCGC00021804-10, HY-12717, SBI-0050955.P004, DB-050268, CS-0012293, NS00007720, EN300-51916, D08362, G78138, AB00053768-28, AB00053768_29, AB00053768_30, L001116, Q420360, m-[N-(2-Imidazolin-2-ylmethyl)-p-toluidino]phenol, BRD-K90333595-001-02-8, BRD-K90333595-003-04-0, BRD-K90333595-003-21-4, BRD-K90333595-003-22-2, BRD-K90333595-066-16-1, BRD-K90333595-066-17-9, Z732246520, 3-(((4,5-Dihydro-1H-Imidazol-2-Yl)Methyl)(P-Tolyl)Amino)Pheno, 3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol #, 3-[(4,5-Dihydro-1H-imidazol-2-yl)methyl-(4-methylphenyl)-amino]phenol, 3-[N-(2-imidazolin-2-ylmethyl)-4-methyl-anilino]phenol;hydrochloride, 3-[N-(2-imidazolin-2-ylmethyl)-4-methyl-anilino]phenol;mesylic acid, 3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphenyl)amino]phenol;methanesulfonic acid
Theoretical properties:
molecular_formula: C17H19N3O
molecular_weight: 281.35 g/mol
exact_mass: 281.152812238 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 4
heavy_atom_count: 21
topological_polar_surface_area: 47.9 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystals
color: Crystals
solubility: 2.72e-01 g/L
Descriptions:
pubchem: 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.
chebi: A substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1<em>H</em>-imidazol-2-ylmethyl groups respectively. An α-adrenergic antagonist, it is used for the treatment of hypertension.
chembl: PHENTOLAMINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 4.0.
wikipedia: Phentolamine, sold under the brand name Regitine among others, is a non-selective α-adrenergic antagonist.