Phentolamine
868
Reference
Phentolamine Structure
Systematic / IUPAC Name: 3-[N-(4,5-Dihydro-1H-imidazol-2-ylmethyl)-4-methylanilino]phenol
ID: Reference868
Other Names:
Dibasin;
Fentolamin;
Phenotolamine;
Phentalamine;
Regitin
; more
Formula: C17H19N3O
Class: Therapeutics/Prescription Drugs
Spectral Data
Phentolamine mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 75 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 10/13/2016 11:44:03 AM |
Identificators
| 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) |
| InChI Key | MRBDMNSDAVCSSF-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)N(CC2=NCCN2)C3=CC(=CC=C3)O |
| CAS | 50602 |
| Splash | |
| Other Names |
Dibasin; Fentolamin; Phenotolamine; Phentalamine; Regitin; Regitine; Regitipe; 2-{[N-(m-Hydroxyphenyl)-p-toluidino]methyl}-2-imidazoline ; 2-(m-Hydroxy-N-p-tolylanilinomethyl)-2-imidazoline; 2-Imidazoline, 2-{[N-(m-hydroxyphenyl)-p-toluidino]methyl}- ; 3-[(4,5-Dihydro-1H-imidazol-2-ylmethyl)(4-methylphenyl)amino]phenol; Phenol, m-[N-(2-imidazolin-2-ylmethyl)-p-toluidino]- ; Phenol, 3-{[(4,5-dihydro-1H-imidazol-2-yl)methyl](4-methylphenyl)amino}- |