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Name |
Allorphine |
EINECS | N/A |
CAS No. | 62-67-9 | Density | 1.38g/cm3 |
PSA | 52.93000 | LogP | 1.69220 |
Solubility | N/A | Melting Point |
208-209° (not 92-93° as first given by McCawley) |
Formula | C19H21 N O3 | Boiling Point | 493.6°C at 760 mmHg |
Molecular Weight | 311.381 | Flash Point | 252.3°C |
Transport Information | N/A | Appearance | N/A |
Safety | Poison by intravenous and subcutaneous routes. Moderately toxic by ingestion and other routes. Human systemic effects by parenteral and subcutaneous routes: central nervous system changes, excitement, tremors, hallucinations and distorted perceptions, and antianxiety effects. When heated to decomposition it emits very toxic fumes of NOx. See also ALLYL COMPOUNDS. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Morphinan-3,6-diol,7,8-didehydro-4,5-epoxy-17-(2-propenyl)-, (5a,6a)- (9CI); Morphinan-3,6a-diol, 17-allyl-7,8-didehydro-4,5a-epoxy- (8CI); (-)-Nalorphine; Allorphine; Anarcon;Antorphin; Antorphine; Lethidrone; Letidron; N-Allylnormorphine; NANM; Nallin;Nalline; Nalorphin; Nalorphine; Norfin |
Molecule structure of Allorphine (CAS NO.62-67-9):
Molecular Weight: 311.37494 g/mol
Molecular Formula: C19H21NO3
Density: 1.38 g/cm3
Boiling Point: 493.6 °C at 760 mmHg
Flash Point: 252.3 °C
Index of Refraction: 1.699
Molar Refractivity: 87.05 cm3
Molar Volume: 225.3 cm3
Polarizability: 34.51*10-24 cm3
Surface Tension: 67.8 dyne/cm
Enthalpy of Vaporization: 80.13 kJ/mol
Vapour Pressure: 1.46E-10 mmHg at 25 °C
XLogP3: 1.9
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 311.152144
MonoIsotopic Mass: 311.152144
Topological Polar Surface Area: 52.9
Heavy Atom Count: 23
Complexity: 549
Defined Atom StereoCenter Count: 5
Canonical SMILES: C=CCN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O
Isomeric SMILES: C=CCN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O
InChI: InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1
InChIKey: UIQMVEYFGZJHCZ-SSTWWWIQSA-N
EINECS: 200-546-1
1. | par-hmn TDLo:200 µg/kg:CNS | PAREAQ Pharmacological Reviews. 8 (1956),175. | ||
2. | scu-hmn TDLo:71 µg/kg:PSY | FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. 15 (1956),442. | ||
3. | scu-rat LD50:474 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 165 (1967),112. | ||
4. | ivn-rat LD50:226 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 165 (1967),112. | ||
5. | orl-mus LD50:1140 mg/kg | 27ZQAG Psychotropic Drugs and Related Compounds E. Usdin andD.H. Efron,2nd ed.,Washington, DC.: 1972268. | ||
6. | ipr-mus LD50:492 mg/kg | PAREAQ Pharmacological Reviews. 8 (1956),175. | ||
7. | scu-mus LD50:500 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 165 (1967),112. | ||
8. | ivn-mus LD50:127 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 165 (1967),112. | ||
9. | par-mus LD50:670 mg/kg | PAREAQ Pharmacological Reviews. 8 (1956),175. | ||
10. | scu-mky LDLo:400 mg/kg | FEP |
Poison by intravenous and subcutaneous routes. Moderately toxic by ingestion and other routes. Human systemic effects by parenteral and subcutaneous routes: central nervous system changes, excitement, tremors, hallucinations and distorted perceptions, and antianxiety effects. When heated to decomposition it emits very toxic fumes of NOx. See also ALLYL COMPOUNDS.
Allorphine (CAS NO.62-67-9) is also called 17-Allyl-7,8-didehydro-4,5-alpha-epoxymorphinan-3,6alpha-diol ; 17-allyl-7,8-didehydro-4,5-alpha-epoxy-morphinan-6-alpha-diol ; 7,8-didehydro-4,5-epoxy-17-(2-propenyl)-,(5alpha,6alpha)-morphinan-6-diol ; 7,8-didehydro-4,5-epoxy-17-(2-propenyl)morphinan-3,6-diol ; Acetorfin ; Acetorphine ; Anarcon . Allorphine (CAS NO.62-67-9) is moderate toxic. It is flammable. It will produce toxic nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry. Keep Allorphine (CAS NO.62-67-9) separate from raw materials of food.