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| CAS No.: | 80012-43-7 |
|---|---|
| Name: | Epinastine |
| Molecular Structure: | |
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| Formula: | C16H15N3 |
| Molecular Weight: | 249.315 |
| Synonyms: | WAL 801;3-Amino-9,13b-dihydro-1H-dibenz[c,f]imidazo[1,5-a]azepine; |
| EINECS: | 616-785-3 |
| Density: | 1.32 g/cm3 |
| Melting Point: | 270oC |
| Boiling Point: | 428 °C at 760 mmHg |
| Flash Point: | 212.7 °C |
| Appearance: | white to yellow crystalline powder |
| PSA: | 41.62000 |
| LogP: | 2.66770 |
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- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 80012-43-7
epinastine
| Conditions | Yield |
|---|---|
| With sodium hydroxide at 20℃; for 2h; | 98% |
| With hydrogenchloride at 95℃; for 31h; | 73% |
- 127786-29-2
3-amino-9,13b-dihydro-1H-dibenzimidazo<1,5-a>azepine hydrobromide
- 80012-43-7
epinastine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 20℃; for 3h; pH=> 10; | 92% |
| Conditions | Yield |
|---|---|
| In ethanol at 30℃; for 10h; Temperature; | 88.6% |
- 80012-43-7
epinastine
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water at 100℃; for 2h; Temperature; | 70.1% |
- 127785-96-0
6,11-dihydro-5H-dibenzazepine-6-methanamine fumarate
- 80012-43-7
epinastine
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water at 25 - 30℃; for 0.5h; |
- 41218-84-2
6-aminomethyl-6,11-dihydro-5H-dibenzo[b,e]azepine
- 80012-43-7
epinastine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: acetic acid / toluene / 15 h / 70 °C 2: hydrogenchloride / 31 h / 95 °C View Scheme | |
| Multi-step reaction with 3 steps 1: acetone / 3 h / 0 °C 2: 2-chloro-1-methyl-pyridinium iodide; triethylamine / N,N-dimethyl-formamide / 10 h / 25 °C 3: hydrogenchloride / water / 2 h / 100 °C View Scheme |
- 143878-20-0
2-(6,11-dihydro-5H-dibenzo[b,e]azepin-6-ylmethyl)isoindole-1,3-dione
- 80012-43-7
epinastine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: hydrazine hydrate / methanol / 4 h / Reflux 2: dichloromethane / 4 h / 20 °C View Scheme |
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; for 4h; | |
| In methanol; ethyl acetate at 10 - 20℃; for 6h; Temperature; Solvent; |
- 80012-43-7
epinastine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: polyphosphoric acid / dichloromethane / 0.5 h / 160 °C 2: 5%-palladium/activated carbon / methanol / 1 h / 80 °C 3: ethyl acetate; methanol / 6 h / 10 - 20 °C View Scheme |
- 80012-43-7
epinastine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 5%-palladium/activated carbon / methanol / 1 h / 80 °C 2: ethyl acetate; methanol / 6 h / 10 - 20 °C View Scheme |
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Specification
The CAS register number of Epinastine is 80012-43-7. It also can be called as 3-Amino-9,13b-dihydro-1H-dibenz[c,f]imidazo[1,5-a]azepine and the systematic name about this chemical is 9,13b-dihydro-1H-dibenzo[c,f]imidazo[1,5-a]azepin-3-amine. The molecular formula about this chemical is C16H15N3 and the molecular weight is 249.31. Classification code about this chemical are Histamine Agents, Histamine Antagonists, Histamine H1 antagonists and Neurotransmitter Agents. This chemical is an antihistamine and a mast cell stabilizer that is used in eye drops to treat allergic conjunctivitis.
Physical properties about Epinastine are: (1)ACD/LogP: 3.44; (2)ACD/LogD (pH 5.5): 1.44; (3)ACD/LogD (pH 7.4): 1.48; (4)ACD/BCF (pH 5.5): 2.43; (5)ACD/BCF (pH 7.4): 2.63; (6)ACD/KOC (pH 5.5): 17.75; (7)ACD/KOC (pH 7.4): 19.2; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 18.84Å2; (11)Index of Refraction: 1.727; (12)Molar Refractivity: 75.01 cm3; (13)Molar Volume: 188.4 cm3; (14)Polarizability: 29.73x10-24cm3; (15)Surface Tension: 55.3 dyne/cm; (16)Enthalpy of Vaporization: 68.31 kJ/mol; (17)Boiling Point: 428 °C at 760 mmHg; (18)Vapour Pressure: 1.56E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N\4=C(\N3c1c(cccc1)Cc2c(cccc2)C3C/4)N
(2)InChI: InChI=1/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)
(3)InChIKey: WHWZLSFABNNENI-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C16H15N3/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16/h1-8,15H,9-10H2,(H2,17,18)
(5)Std. InChIKey: WHWZLSFABNNENI-UHFFFAOYSA-N