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| CAS No.: | 87233-61-2 |
|---|---|
| Name: | Emedastine |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C17H26 N4 O |
| Molecular Weight: | 302.42 |
| Synonyms: | 1H-1,4-Diazepine,1H-benzimidazole deriv.; 1-Methyl-4-(1-(2-ethoxyethyl)-1H-benzimidazol-2-yl)[1,4]diazepane;Emedastine |
| EINECS: | 200-258-5 |
| Density: | 1.15 g/cm3 |
| Melting Point: | 148-151ºC |
| Boiling Point: | 446.6 °C at 760 mmHg |
| Flash Point: | 223.9 °C |
| PSA: | 33.53000 |
| LogP: | 2.21760 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 926293-55-26-Bromo-2-methylpyridine-3-carboxaldehyde
- 911112-05-55-Iodo-3-(trifluoromethyl)-2-pyridinamine
- 886364-50-71-(5-Bromo-2-pyridinyl)-2,2,2-trifluoroethanone
- Total:33 Page 1 of 1 1
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Chemistry
Molecule structure of Emedastine (CAS NO.87233-61-2):
IUPAC Name: 1-(2-Ethoxyethyl)-2-(4-methyl-1,4-diazepan-1-yl)benzimidazole
Molecular Weight: 302.41454 [g/mol]
Molecular Formula: C17H26N4O
Index of Refraction: 1.594
Molar Refractivity: 89.18 cm3
Molar Volume: 262.5 cm3
Surface Tension: 43 dyne/cm
Density: 1.15 g/cm3
Flash Point: 223.9 °C
Enthalpy of Vaporization: 70.48 kJ/mol
Boiling Point: 446.6 °C at 760 mmHg
Vapour Pressure: 3.59E-08 mmHg at 25 °C
XLogP3-AA: 2.2
H-Bond Acceptor: 4
Rotatable Bond Count: 5
Exact Mass: 302.210661
MonoIsotopic Mass: 302.210661
Topological Polar Surface Area: 33.5
Heavy Atom Count: 22
Canonical SMILES: CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C
InChI: InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3
InChIKey: KBUZBQVCBVDWKX-UHFFFAOYSA-N
Classification Code: Anti-allergic agents; Histamine Agents; Histamine Antagonists; Histamine H1 antagonists; Neurotransmitter Agents
Uses
Emedastine (CAS NO.87233-61-2) is an antihistamine used in eye drops to treat allergic conjunctivitis.
Specification
Emedastine (CAS NO.87233-61-2) is also named as 1-Methyl-4-(1-(2-ethoxyethyl)-1H-benzimidazo)-2-yl)(1,4)diazepane ; Emadine ; Emedastina ; Emedastina [INN-Spanish] ; Emedastinum ; Emedastinum [INN-Latin] ; UNII-9J1H7Y9OJV ; 1-(2-Ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)benzimidazole ; 1H-Benzimidazole, 1-(2-ethoxyethyl)-2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)- .