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| CAS No.: | 63906-64-9 |
|---|---|
| Name: | 7-(2-amino-1-morpholin-4-ylethyl)-8-benzyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione hydrochloride |
| Molecular Structure: | |
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| Formula: | C20H26 N6 O3 . Cl H |
| Molecular Weight: | 431.95 |
| Synonyms: | 1H-Purine-2,6-dione,7-[2-amino-1-(4-morpholinyl)ethyl]-3,7-dihydro-1,3-dimethyl-8-(phenylmethyl)-,monohydrochloride (9CI) |
| Density: | g/cm3 |
| Boiling Point: | 628.8°Cat760mmHg |
| Flash Point: | 334.1°C |
| Safety: | Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl. See other theophylline entries. |
| PSA: | 100.31000 |
| LogP: | 1.25420 |
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Chemistry
Molecular Structure of 8-Benzyl-7-(1′-morpholino-2′-amino)-ethyltheophylline hydrochloride (CAS NO.63906-64-9):
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IUPAC Name: 7-(2-amino-1-morpholin-4-ylethyl)-8-benzyl-1,3-dimethylpurine-2,6-dione hydrochloride
Empirical Formula: C20H27ClN6O3
Molecular Weight: 434.9198
Flash Point: 334.1 °C
Enthalpy of Vaporization: 93.03 kJ/mol
Boiling Point: 628.8 °C at 760 mmHg
Vapour Pressure: 1.01E-15 mmHg at 25°C
Toxicity Data With Reference
| 1. | orl-rat LD50:1498 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 19 (1969),1113. | ||
| 2. | ipr-rat LD50:140 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 19 (1969),1113. | ||
| 3. | scu-rat LD50:331 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 19 (1969),1113. | ||
| 4. | ivn-rat LD50:54 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 19 (1969),1113. | ||
| 5. | orl-mus LD50:247 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 19 (1969),1113. | ||
| 6. | ipr-mus LD50:83 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 19 (1969),1113. | ||
| 7. | scu-mus LD50:126 mg/kg | ARZNAD Arzneimittel-Forschung. Drug Research. 19 (1969),1113. |
Safety Profile
Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx and HCl. See other theophylline entries.
Specification
8-Benzyl-7-(1′-morpholino-2′-amino)-ethyltheophylline hydrochloride , with CAS number of 63906-64-9, can be called AC 3092 .