| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 2nd, 2008 | 10 | Yes |
Popular Name: 2-(2-METHYLAMINOETHYL)PYRIDINE 2-(2-METHYLAMINOETHYL)PYRIDINE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 15430-48-5 , 380416-14-8 , 54856-23-4 , 5579-84-0 , 5579-84-0, 5638-76-6 [bet , 5579-84-0, 5638-76-6 [betahistine] , 5638-76-6 , [54856-23-4] , [5638-76-6]
"Betahistine dihydrochloride, 99%"
2-(2-(Methylamino)ethyl)pyridine dihydrochloride
2-[2-(Methylamino)ethyl]pyridine
54856-23-4; Betahistine mesilate (JP16); D01592; Suzutolon (TN)
54856-23-4; Betahistine mesylate; Prestwick_838
5638-76-6; Betahistine (INN); D07522; Vestibo (TN)
betahistina; betahistine; betahistinum
Betahistine (base and/or unspecified salts)
Betahistine Dihydrochloride:; Methyl(2-[2-pyridyl]ethyl)amine
INN); Betahistine Hydrochloride (USAN
Methyl-(2-pyridin-2-yl-ethyl)-amine
methyl[2-(pyridin-2-yl)ethyl]amine
N-Methyl-2-(2-pyridyl)ethylamine methanesulfonate
N-Methyl-2-(2-pyridyl)ethylaminemethanesulfonate
N-methyl-2-(pyridin-2-yl)ethanamine
N-Methyl-2-(pyridin-2-yl)ethanamine hydrochloride
N-Methyl-2-pyridin-2-ylethylamine methanesulfonate
N-Methyl-N-(2-pyridin-2-ylethyl)amine
N-methyl-N-(2-pyridin-2-ylethyl)amine dihydrochloride
| 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) | 0.73 | 3.4 | -38.11 | 2 | 2 | 1 | 29 | 137.206 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | Diamine oxidase inhibitor | ZereneX Building Blocks |
| MP | 112 | TCI |
| BP [°C] | 113 - 114 (p=30 torr) | Acros Organics |
| ALOGPS_SOLUBILITY | 4.93e+01 g/l | DrugBank-approved |
| MP | 45 - 48 | Enamine Building Blocks |
| MP | 45...48 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | 98% | Fluorochem |
| biological_use | Antihistamine | IBScreen Bioactives IBScreen Bioactives |
| Hazard | C: Corrosive | Acros Organics |
| mechanism | Diamine oxidase inhibitor | IBScreen Bioactives |
| Patent Database Links | EP1493435; US2004254182; US2006063753; US2008255073 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage | Acros Organics |
| biological_use | Has been used to treat the symptoms of Meacuteniegravere's disease | IBScreen Bioactives |
| Target | Histamine Receptor | Selleck Chemicals |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R34: Causes burns. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible | Acros Organics |
| biological_use | Used in treatment of circulatory diseases | IBScreen Bioactives |
| Therapy | vasodilator | SMDC Iconix |
| Indications | vertigo | KeyOrganics Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3-1-E | Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2030 | 0.80 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| HRH3_RAT | Q9QYN8 | Histamine H3 Receptor, Rat | 2030 | 0.80 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| Histamine receptors |
