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Phentolamine

PubChem CID: 5775

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Compound Synonyms phentolamine, 50-60-2, Regitine, Fentolamin, Regitin, Dibasin, Fentolamina, Phentolaminum, Rogitine, Phenotolamine, Phentalamine, Regitipe, C 7337 Ciba, Phentolamin, Fentolamina [INN-Spanish], Phentolaminum [INN-Latin], 2-(N-(m-Hydroxyphenyl)-p-toluidinomethyl)imidazoline, Regitina, 3-(((4,5-Dihydro-1H-imidazol-2-yl)methyl)(p-tolyl)amino)phenol, C 7337, HSDB 3382, 2-(m-Hydroxy-N-p-tolylanilinomethyl)-2-imidazoline, EINECS 200-053-1, 3-[(4,5-dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol, 2-((N-(m-Hydroxyphenyl)-p-toluidino)methyl)-2-imidazoline, UNII-Z468598HBV, 2-(N'-p-Tolyl-N'-m-hydroxyphenylaminomethyl)-2-imidazoline, BRN 0272944, Phentolamine (INN), CHEBI:8081, DTXSID4023462, 3-{[(4,5-Dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino}phenol, Z468598HBV, Phenol, m-(N-(2-imidazolin-2-ylmethyl)-p-toluidino)-, 2-Imidazoline, 2-((N-(m-hydroxyphenyl)-p-toluidino)methyl)-, Phenol, 3-(((4,5-dihydro-1H-imidazol-2-yl)methyl)(4-methylphenyl)amino)-, MLS000040874, DTXCID703462, 5-25-09-00365 (Beilstein Handbook Reference), Phenol, 3-[[(4,5-dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino]-, NCGC00016311-10, SMR000058051, 3-[[(4,5-dihydro-1h-imidazol-2-yl)methyl](4-methylphenyl)amino]phenol, PHENTOLAMINE [INN], Fentolamina (INN-Spanish), Phentolaminum (INN-Latin), Phentolamine [INN:BAN], Fentolamine, 3-((4,5-DIHYDRO-1H-IMIDAZOL-2-YLMETHYL)(4-METHYLPHENYL)AMINO)PHENOL, CAS-50-60-2, Phentolamine mesylas, phentol amine, Rogitine (Salt/Mix), Spectrum_000077, 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol, methanesulfonic acid, 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, cid_91430, MLS001201741, DivK1c_000807, PHENTOLAMINE [WHO-DD], SPBio_002200, BPBio1_000307, BCBcMAP01_000014, BDBM31046, KBio1_000807, KBio2_000477, KBio2_003045, KBio2_005613, KBio3_001716, C04AB01, V03AB36, NINDS_000807, HMS1791H17, HMS1989H17, HMS2089E03, HMS2235D17, HMS3372H21, HMS3402H17, Tox21_110364, BBL010978, 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, 2-((N-(m-Hydroxyphenyl)-p-toluidino)methyl)-, 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, 2-(N-p'-Tolyl-N-(m'-hydroxyphenyl)aminomethyl)imidazoline, 3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol #, 3-[4,5-dihydro-1H-imidazol-2-ylmethyl-(4-methylphenyl)amino]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, 200-053-1
Prediction Swissadme 0.0
Topological Polar Surface Area 47.9
Hydrogen Bond Donor Count 2.0
Inchi Key MRBDMNSDAVCSSF-UHFFFAOYSA-N
Fcsp3 0.2352941176470588
Rotatable Bond Count 4.0
Heavy Atom Count 21.0
Compound Name Phentolamine
Prediction Hob Swissadme 0.0
Exact Mass 281.153
Formal Charge 0.0
Monoisotopic Mass 281.153
Isotope Atom Count 0.0
Molecular Complexity 363.0
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 281.35
Database Name cmaup_ingredients;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 0.0
Iupac Name 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Prediction Hob 0.0
Esol -3.406482942857142
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)
Smiles CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O
Target Id NPT222, NPT223, NPT224, NPT296, NPT1788, NPT1789, NPT221, NPT1791, NPT251
Xlogp 2.6
Defined Bond Stereocenter Count 0.0
Molecular Formula C17H19N3O

  • 1. Outgoing r'ship FOUND_IN to/from Kopsia Teoi (Plant) Rel Props:Source_db:cmaup_ingredients
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