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Cas Database |
| Name |
(+-)-Methadone |
EINECS | N/A |
| CAS No. | 297-88-1 | Density | 1.0350 (rough estimate) |
| PSA | 20.31000 | LogP | 4.29200 |
| Solubility | N/A | Melting Point |
80°C |
| Formula | C21H27NO | Boiling Point | 449.71°C (rough estimate) |
| Molecular Weight | 309.45 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
methadone base;6-(Dimethylamino)-4,4-diphenyl-3-heptanone DL-mixture |
Article Data | 17 |
(+-)-Methadone Chemical Properties
Molecule structure of (+-)-Methadone (CAS NO.297-88-1):
IUPAC Name: 6-(Dimethylamino)-4,4-diphenylheptan-3-one
Molecular Weight: 309.44518 g/mol
Molecular Formula: C21H27NO
Density: 1.009 g/cm3
Boiling Point: 423.7 °C at 760 mmHg
Flash Point: 126.5 °C
Index of Refraction: 1.538
Molar Refractivity: 95.91 cm3
Molar Volume: 306.4 cm3
Polarizability: 38.02×10-24 cm3
Surface Tension: 37.1 dyne/cm
Enthalpy of Vaporization: 67.8 kJ/mol
Vapour Pressure: 2.2E-07 mmHg at 25 °C
XLogP3: 3.9
H-Bond Acceptor: 2
Rotatable Bond Count: 7
Tautomer Count: 2
Exact Mass: 309.209264
MonoIsotopic Mass: 309.209264
Topological Polar Surface Area: 20.3
Heavy Atom Count: 23
Complexity: 346
Canonical SMILES: CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
InChI: InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
InChIKey of (+-)-Methadone (CAS NO.297-88-1): USSIQXCVUWKGNF-UHFFFAOYSA-N
(+-)-Methadone Toxicity Data With Reference
| 1. | dni-rat:tst 10 µmol/L | BCPCA6 Biochemical Pharmacology. 27 (1978),123. | ||
| 2. | oth-rat:tst 10 µmol/L | BCPCA6 Biochemical Pharmacology. 27 (1978),123. | ||
| 3. | orl-mus LD50:95 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 110 (1954),135. | ||
| 4. | ipr-mus LD50:28 mg/kg | BJPCAL British Journal of Pharmacology and Chemotherapy. 9 (1954),280. | ||
| 5. | scu-mus LD50:28 mg/kg | YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. 81 (1961),740. | ||
| 6. | ivn-dog LD50:26 mg/kg | CPBTAL Chemical and Pharmaceutical Bulletin. 7 (1959),372. |
(+-)-Methadone Safety Profile
Poison by ingestion, intraperitoneal, subcutaneous, and intravenous routes. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
RIDADR: 1544
HazardClass: 6.1(b)
PackingGroup: III
(+-)-Methadone Specification
(+-)-Methadone (CAS NO.297-88-1) is also called (+-)-Methadone ; 6-(Dimethylamino)-4,4-diphenyl-3-heptanone dl-mixture ; Adanon ; Racemic methadone ; 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, (+-)- .
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