| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2010 | 12 | Yes |
Popular Name: pargyline hydrochloride pargyline hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 306-07-0 , 306-07-0, 555-57-7 , 306-07-0, 555-57-7 [pargyline] , 555-57-7 , [306-07-0] , [555-57-7]
2-12-00-00548 (Beilstein Handbook Reference)
2-Propynylamine, N-benzyl-N-methyl-
306-07-0; D02564; Eutonyl (TN); Pargyline hydrochloride (USAN)
306-07-0; Pargyline hydrochloride; Prestwick_377
555-57-7; D08453; Pargyline (INN)
Benzenemethanamine, N-methyl-N-2-propynyl-
benzyl(methyl)(prop-2-yn-1-yl)amine
Benzyl-methyl-2-propinylamin [Czech]
BENZYLAMINE, N-METHYL-N-2-PROPYNYL-
InChI=1/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
Methylbenzylpropynylamine hydrochloride
N-Benzyl-N-methyl-2-propyn-1-amine
N-Benzyl-N-methyl-2-propynylamine
N-Benzyl-N-methyl-2-propynylamine hydrochloride
N-Benzyl-N-methylprop-2-yn-1-amine
N-Benzyl-N-methylprop-2-yn-1-amine hydrochloride
N-Methyl-N-(2-propynyl)benzylamine-
N-methyl-N-(phenylmethyl)prop-2-yn-1-amine
N-Methyl-N-2-propynylbenzylamine
N-Methyl-N-benzylpropynylamine
N-METHYL-N-PROPARGYLBENZYLAMINE
N-Methyl-N-propargylbenzylamine HCl
N-Methyl-N-propargylbenzylamine Hydrochloride
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 160 - 163 | Enamine Building Blocks |
| MP | 160...163 | Enamine Building Blocks |
| BP [°C] | 86 - 88 (p=4 torr) | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 9.98e-02 g/l | DrugBank-approved |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| therap | antihypertensive | MicroSource Spectrum |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| Therapy | MAO inhibitor, relatively selective for MAO-B | SMDC MicroSource |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDH2-2-E | Aldehyde Dehydrogenase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5600 | 0.61 | Binding ≤ 10μM |
| AOFA-1-E | Monoamine Oxidase A (cluster #1 Of 8), Eukaryotic | Eukaryotes | 8500 | 0.59 | Binding ≤ 10μM |
| AOFB-1-E | Monoamine Oxidase B (cluster #1 Of 8), Eukaryotic | Eukaryotes | 2600 | 0.65 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALDH2_RAT | P11884 | Aldehyde Dehydrogenase, Rat | 5600 | 0.61 | Binding ≤ 10μM |
| AOFA_RAT | P21396 | Monoamine Oxidase A, Rat | 8500 | 0.59 | Binding ≤ 10μM |
| AOFB_HUMAN | P27338 | Monoamine Oxidase B, Human | 1800 | 0.67 | Binding ≤ 10μM |
| AOFB_RAT | P19643 | Monoamine Oxidase B, Rat | 2850 | 0.65 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Monoamines are oxidized to aldehydes by MAOA and MAOB, producing NH3 and H2O2 |
No pre-computed analogs available. Try a structural similarity search.