| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 18 | Yes |
Popular Name: Rivastigmine Rivastigmine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 123441-03-2 , 129101-54-8 , [123441-03-2] , [129101-54-8] , [415973-05-6]
(S)-3-(1-(Dimethylamino)ethyl)phenyl ethyl(methyl)carbamate
(S)-3-(1-(Dimethylamino)ethyl)phenyl ethyl(methyl)carbamate (2R,3R)-2,3-dihydroxysuccinate
(S)-3-(1-(Dimethylamino)ethyl)phenyl ethylmethylcarbamate
123441-03-2; C11766; Rivastigmine
123441-03-2; D03822; Exelon (TN); Rivastigmine (JAN/USAN/INN)
3-((1S)-1-(Dimethylamino) ethyl)phenyl N-ethyl-N-methylcarbamate
3-((1S)-1-(Dimethylamino)ethyl)phenyl ethylmethylcarbamate
3-((1S)-1-(Dimethylamino)ethyl)phenyl N-ethyl-N-methylcarbamate
3-[(1S)-1-(dimethylamino)ethyl]phenyl ethyl(methyl)carbamate
Carbamic acid, ethylmethyl-, 3-((1S)-1-(dimethylamino)ethyl)phenyl ester
Carbamic acid, ethylmethyl-, 3-(1-(dimethylamino)ethyl)phenyl ester, (S)-
Carbamic acid, N-ethyl-N-methyl-, 3-[(1S)-1-(dimethylamino)ethyl]phenyl ester
ENA-713; SDZ-212-713; SDZ-ENA-713
Ethylmethylcarbamic acid 3-((1S)-1-(dimethylamino)ethyl)phenyl ester
m-((S)-1-(Dimethylamino)ethyl)phenyl ethylmethylcarbamate
Rivastigmine Hydrogen Tartrate
Rivastigmine tartrate (Exelon)
USAN); Rivastigmine Tartrate (FDA)
[3-[(1S)-1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
| 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) | 2.28 | 8.58 | -39.45 | 1 | 4 | 1 | 34 | 251.35 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 2.04e+00 g/l | DrugBank-approved |
| Therapy | acetylcholinesterase inhibitor | SMDC Pharmakon |
| Target | AChR | Selleck Chemicals |
| Indications | antidementia | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES-10-E | Acetylcholinesterase (cluster #10 Of 12), Eukaryotic | Eukaryotes | 2250 | 0.44 | Binding ≤ 10μM |
| CHLE-1-E | Butyrylcholinesterase (cluster #1 Of 7), Eukaryotic | Eukaryotes | 1600 | 0.45 | Binding ≤ 10μM |
| Q9JKC1-1-E | Butyrylcholinesterase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 350 | 0.50 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 37 | 0.58 | Binding ≤ 1μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 170 | 0.53 | Binding ≤ 1μM |
| Q9JKC1_RAT | Q9JKC1 | Butyrylcholinesterase, Rat | 350 | 0.50 | Binding ≤ 1μM |
| CHLE_HORSE | P81908 | Cholinesterase, Horse | 831.763771 | 0.47 | Binding ≤ 1μM |
| ACES_RAT | P37136 | Acetylcholinesterase, Rat | 1820 | 0.45 | Binding ≤ 10μM |
| ACES_HUMAN | P22303 | Acetylcholinesterase, Human | 1535 | 0.45 | Binding ≤ 10μM |
| ACES_MOUSE | P21836 | Acetylcholinesterase, Mouse | 5500 | 0.41 | Binding ≤ 10μM |
| ACES_ELEEL | O42275 | Acetylcholinesterase, Eleel | 4168.69383 | 0.42 | Binding ≤ 10μM |
| Q9JKC1_RAT | Q9JKC1 | Butyrylcholinesterase, Rat | 1410 | 0.46 | Binding ≤ 10μM |
| CHLE_MOUSE | Q03311 | Butyrylcholinesterase, Mouse | 1600 | 0.45 | Binding ≤ 10μM |
| CHLE_HUMAN | P06276 | Butyrylcholinesterase, Human | 170 | 0.53 | Binding ≤ 10μM |
| CHLE_HORSE | P81908 | Cholinesterase, Horse | 831.763771 | 0.47 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Neurotransmitter Clearance In The Synaptic Cleft | |
| Synthesis of PC | |
| Synthesis, secretion, and deacylation of Ghrelin |
