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| CAS No.: | 40709-23-7 |
|---|---|
| Name: | Amikhelline |
| Molecular Structure: | |
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| Formula: | C18H21 N O5 . Cl H |
| Molecular Weight: | 367.86 |
| Synonyms: | 5H-Furo[3,2-g][1]benzopyran-5-one,9-[2-(diethylamino)ethoxy]-4-hydroxy-7-methyl-, hydrochloride (6CI,7CI,9CI);Amikhellin hydrochloride |
| Density: | g/cm3 |
| Boiling Point: | 394.5°Cat760mmHg |
| Flash Point: | 192.4°C |
| Safety: | Poison by subcutaneous route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and HCl. |
| PSA: | 76.05000 |
| LogP: | 4.07580 |
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Chemistry
Molecule structure of Amikhellin hydrochloride (CAS NO.40709-23-7):
IUPAC Name: Diethyl-[2-(4-hydroxy-2-methyl-5-oxofuro[3,2-g]chromen-9-yl)oxyethyl]azanium chloride
Molecular Weight: 367.82398 g/mol
Molecular Formula: C18H22ClNO5
Boiling Point: 394.5 °C at 760 mmHg
Flash Point: 192.4 °C
Enthalpy of Vaporization: 66.97 kJ/mol
Vapour Pressure: 8.66E-07 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 6
Rotatable Bond Count: 6
Tautomer Count: 4
Exact Mass: 367.118651
MonoIsotopic Mass: 367.118651
Topological Polar Surface Area: 73.3
Heavy Atom Count: 25
Complexity: 478
Canonical SMILES: CC[NH+](CC)CCOC1=C2C(=C(C3=C1OC(=C3)C)O)C(=O)C=CO2.[Cl-]
InChI: InChI=1S/C18H21NO5.ClH/c1-4-19(5-2)7-9-23-18-16-12(10-11(3)24-16)15(21)14-13(20)6-8-22-17(14)18;/h6,8,10,21H,4-5,7,9H2,1-3H3;1H
InChIKey: APHFYLWKRGLANL-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | dnd-omi 110 µmol/L | BICMBE Biochimie. 55 (1973),1415. | ||
| 2. | dnd-omi 110 µmol/L | BICMBE Biochimie. 55 (1973),1415. | ||
| 3. | dnd-omi 10 mmol/L | BICMBE Biochimie. 55 (1973),1415. | ||
| 4. | cyt-nml:oth 270 µmol/L/6H-C AAMMAU 61,210,72 | |||
| 5. | cyt-nml:oth 270 µmol/L/6H-C AAMMAU 61,201,72 | |||
| 6. | dnd-mam:lym 100 µmol/L | BICMBE Biochimie. 55 (1973),1415. | ||
| 7. | scu-mus LD50:14,380 µg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 13 (1963),140. |
Safety Profile
Poison by subcutaneous route. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx and HCl.
Specification
Amikhellin hydrochloride (CAS NO.40709-23-7) is also named as 2-Methyl-5-hydroxy-8-(beta-diaethylamino-aethoxy)furano-6,7:2'3'-chromon hydrochloride ; Amikhellin HCl ; Amikhellin chlorhydrate ; Chlorhydrate d'amikhelline ; Chlorhydrate d'amikhelline [French] ; Nokhel ; 5H-Furo(3,2-g)(1)benzopyran-5-one, 9-(2-(diethylamino)ethoxy)-4- hydroxy-7-methyl-, hydrochloride . Amikhellin hydrochloride (CAS NO.40709-23-7) is highly toxic. It is flammable. It will produce toxic nitrogen oxide and hydrogen chloride fumes when buring. So the storage environment should be ventilate, low-temperature and dry.