| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 13 | No |
Popular Name: Pyridostigmine bromide Pyridostigmine bromide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 101-26-8 , 101-26-8, 155-97-5 , 101-26-8, 155-97-5 [pyridostigmine] , 155-97-5 , [101-26-8]
(1-methylpyridin-1-ium-3-yl) N,N-dimethylcarbamate
1-methyl-3-pyridiniumyl dimethylcarbamate
101-26-8; D00487; Mestinon (TN); Pyridostigmine bromide (JP16/USP/INN)
155-97-5; C07410; Pyridostigmine
3-(((Dimethylamino)carbonyl)oxy)-1-methylpyridinium
3-(Dimethylaminocarbonyloxy)-1-methylpyridinium bromide
3-(Dimethylcarbamoyloxy)-1-Methylpyridinium Bromide
3-(Dimethylcarbamoyloxy)-1-MethylpyridiniumBromide
3-[(dimethylcarbamoyl)oxy]-1-methylpyridin-1-ium bromide
5-21-02-00078 (Beilstein Handbook Reference)
CPD000058605; Mestinon; Pyridostigmine bromide; SAM002564227
CPD000058605; Mestinon; SAM002564227
N,N-DIMETHYLAMINOFORMIC ACID 3-PYRIDINYL ESTER
N,N-dimethylcarbamic acid (1-methylpyridin-1-ium-3-yl) ester bromide
Pyridine N-Oxide;Pyridostigmine Bromide;Pyridostigmine Bromine;Pyridostigminum
Pyridinium, 3-(((dimethylamino)carbonyl)oxy)-1-methyl-
Pyridinium, 3-(((dimethylamino)carbonyl)oxy)-1-methyl- (9CI)
Pyridinium, 3-hydroxy-1-methyl-, dimethylcarbamate (ester)
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -3.93 | 5.21 | -32.63 | 0 | 4 | 1 | 33 | 181.215 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.04e+00 g/l | DrugBank-approved |
| MP | 154 | TCI |
| MP | 154 - 156 | Enamine Building Blocks |
| MP | 154...156 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Target | AChR | Selleck Chemicals |
| therap | cholinergic | MicroSource Spectrum |
| Therapy | Cholinesterase inhibitor | SMDC MicroSource |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : P-0202; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER; 1 bromide | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: P-0202; SALT: 1 bromide; SUPPLIER_COMMENTS: WHITE POWDER | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-10-E | Acetylcholinesterase (cluster #10 Of 12), Eukaryotic | Eukaryotes | 50 | 0.79 | Binding ≤ 10μM |
| CHLE-1-E | Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 900 | 0.65 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_BOVIN | P23795 | Acetylcholinesterase, Bovin | 50 | 0.79 | Binding ≤ 1μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 360 | 0.69 | Binding ≤ 1μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 900 | 0.65 | Binding ≤ 1μM |
| ACES_BOVIN | P23795 | Acetylcholinesterase, Bovin | 50 | 0.79 | Binding ≤ 10μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 360 | 0.69 | Binding ≤ 10μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 3500 | 0.59 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin |
No pre-computed analogs available. Try a structural similarity search.