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| CAS No.: | 427-00-9 |
|---|---|
| Name: | desomorphine |
| Article Data: | 8 |
| Molecular Structure: | |
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|
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| Formula: | C17H21 N O2 |
| Molecular Weight: | 271.359 |
| Synonyms: | Morphine,6-deoxy-7,8-dihydro- (6CI); 4,5-Epoxy-3-hydroxy-N-methylmorphinan;6-Deoxy-7,8-dihydromorphine; Deoxydihydromorphine D; Desomorphine;Dihydrodeoxymorphine; Dihydrodesoxymorphine D; Dihydroepoxymorphine; MorphineD, deoxydihydro-; Permonid |
| Density: | 1.31g/cm3 |
| Melting Point: | 189° |
| Boiling Point: | 426.1°Cat760mmHg |
| Flash Point: | 211.5°C |
| Hazard Symbols: | F,Xn |
| Risk Codes: | 11-20/21/22-36 |
| Safety: | Poison by subcutaneous and intravenous routes. See also (−)-MORPHINE. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 32.70000 |
| LogP: | 2.38920 |
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Chemistry
Product Name: Dihydrodeoxymorphine (CAS NO.427-00-9)
Molecular Formula: C17H21NO2
Molecular Weight: 271.39g/mol
Mol File: 427-00-9.mol
Einecs: 207-045-7
Boiling point: 426.1 °C at 760 mmHg
Flash Point: 211.5 °C
Density: 1.31 g/cm3
Surface Tension: 60.2 dyne/cm
Enthalpy of Vaporization: 70.72 kJ/mol
Vapour Pressure: 7.3E-08 mmHg at 25°C
XLogP3-AA: 2.8
H-Bond Donor: 1
H-Bond Acceptor: 3
Structure Descriptors of Dihydrodeoxymorphine (CAS NO.427-00-9):
Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3CCC4
Isomeric SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3CCC4
InChI: InChI=1S/C17H21NO2/c1-18-8-7-17-11-3-2-4-14(17)20-16-13(19)6-5-10(15(16)17)9-12(11)18/h5-6,11-12,14,19H,2-4,7-9H2,1H3/t11-,12+,14-,17+/m0/s1
InChIKey: LNNWVNGFPYWNQE-GMIGKAJZSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 27mg/kg (27mg/kg) | PERIPHERAL NERVE AND SENSATION: LOCAL ANESTHETIC BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | Yakugaku Zasshi. Journal of Pharmacy. Vol. 84, Pg. 268, 1964. |
| mouse | LDLo | subcutaneous | 104mg/kg (104mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD | Journal of Pharmacology and Experimental Therapeutics. Vol. 55, Pg. 257, 1935. |
Safety Profile
Poison by subcutaneous and intravenous routes. See also (−)-MORPHINE. When heated to decomposition it emits toxic fumes of NOx.
Specification
Dihydrodeoxymorphine ,its CAS NO. is 427-00-9,the synonyms is 4,5-Epoxy-3-hydroxy-N-methylmorphinan ; Desomorfin ; Desomorphinum ; Dihydrodesoxymorphine-D ; EINECS 207-045-7 ; Morphine, 6-deoxy-7,8-dihydro- ; Permonid ; UNII-7OP86J5E33 ; Desomorphine ; Dihydrodeoxymorphine or 4,5-Epoxy-3-hydroxy-N-methylmorphinan ; Morphinan-3-ol, 4,5-alpha-epoxy-17-methyl- .