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 |
|---|---|
| Topological Polar Surface Area | 47.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 363.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Target Id | NPT222, NPT223, NPT224, NPT296, NPT1788, NPT1789, NPT221, NPT1791, NPT251 |
| Xlogp | 2.6 |
| Is Pains | False |
| Molecular Formula | C17H19N3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | MRBDMNSDAVCSSF-UHFFFAOYSA-N |
| Fcsp3 | 0.2352941176470588 |
| Rotatable Bond Count | 4.0 |
| Compound Name | Phentolamine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 281.153 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 281.153 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 281.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 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 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kopsia Teoi (Plant) Rel Props:Source_db:cmaup_ingredients