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| CAS No.: | 1892-80-4 |
|---|---|
| Name: | fenetylline hydrochloride |
| Molecular Structure: | |
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| Formula: | C18H23 N5 O2 . Cl H |
| Molecular Weight: | 377.874 |
| Synonyms: | 1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl-7-[2-[(1-methyl-2-phenylethyl)amino]ethyl]-,monohydrochloride (9CI);Theophylline, 7-[2-[(a-methylphenethyl)amino]ethyl]-, monohydrochloride(8CI);7-[2-(1-Methyl-2-phenylethylamino)ethyl]theophylline hydrochloride;7-[2-[(a-Methylphenethyl)amino]ethyl]theophyllinehydrochloride;Amfetyline hydrochloride;Biocapton;Captagon hydrochloride;Fenethylline hydrochloride;H 814;NSC 169872; |
| EINECS: | 217-580-8 |
| Density: | 1.26g/cm3 |
| Melting Point: | 227-229°; mp 237-239° |
| Boiling Point: | 563.8°Cat760mmHg |
| Flash Point: | 294.8°C |
| Safety: | Poison by ingestion, subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx and HCl. See also THEOPHYLLINE and other theophylline entries. A stimulant. |
| PSA: | 73.85000 |
| LogP: | 1.84740 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Specification
Fenethylline hydrochloride is a medicine with the CAS NO.1892-80-4, and its synonyms are1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-((1-methyl-2-phenylethyl)amino)ethyl)-, monohydrochloride; 7-(2-((alpha-Methylphenethyl)amino)ethyl)theophylline hydrochloride; 7-(2-((alpha-Methylphenethyl)amino)ethyl)theophylline monohydrochloride; 7-(2-(1-Methyl-2-phenylethylamino)ethyl)theophylline hydrochloride; 7-(Phenyl-isopropyl-amino-aethyl)-theophyllin-hydrochlorid; Amfetyline hydrochloride; BZT; Biocapton; Captagon hydrochloride; Fenethylline HCl; Fenetylline; 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-((1-methyl-2-phenylethyl)amino)ethyl)-, monohydrochloride; Fenetylline hydrochloride; Theophylline, 7-(2-((alpha-methylphenethyl)amino)ethyl)-, hydrochloride; Theophylline, 7-(2-((alpha-methylphenethyl)amino)ethyl)-, monohydrochloride (8CI).
Physical properties about Fenethylline hydrochloride are: (1)ACD/LogP: 1.905; (2)ACD/LogD (pH 5.5): -1.12; (3)ACD/LogD (pH 7.4): -0.01; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 3.14; (8)#H bond acceptors:7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 6; (11)Flash Point: 294.8 °C; (12)Enthalpy of Vaporization: 84.72 kJ/mol; (13)Boiling Point: 563.8 °C at 760 mmHg; (14)Vapour Pressure: 9.8E-13 mmHg at 25°C
You can still convert the following datas into molecular structure:
(1)InChI=1S/C18H23N5O2.ClH/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2;/h4-8,12-13,19H,9-11H2,1-3H3;1H;
(2)InChIKey=MVXGSLGVWBVZCA-UHFFFAOYSA-N;
(3)Smilesc12c(c(=O)n(c(n1C)=O)C)n(CCN[C@@H](Cc1ccccc1)C)cn2.Cl
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 89mg/kg (89mg/kg) | BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) | Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 190, 1958. |
| mouse | LD50 | intravenous | 55mg/kg (55mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 230, 1972. | |
| mouse | LD50 | oral | 347mg/kg (347mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 230, 1972. | |
| mouse | LD50 | subcutaneous | 80mg/kg (80mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 230, 1972. | |
| rat | LD50 | intraperitoneal | 57mg/kg (57mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 230, 1972. | |
| rat | LD50 | oral | 100mg/kg (100mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 230, 1972. | |
| rat | LD50 | subcutaneous | 196mg/kg (196mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 230, 1972. |