Products Categories
| CAS No.: | 14075-02-6 |
|---|---|
| Name: | (5alpha,6alpha)-17,17-dimethyl-7,8-didehydro-4,5-epoxymorphinan-17-ium-3,6-diol chloride |
| Molecular Structure: | |
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| Formula: | C18H22 N O3 . Cl |
| Molecular Weight: | 335.86 |
| Synonyms: | Morphinanium,7,8-didehydro-4,5a-epoxy-3,6a-dihydroxy-17,17-dimethyl-,chloride (8CI); Morphine methylchloride; N-Methylmorphine chloride;N-Methylmorphinium chloride |
| Safety: | Poison by intravenous and subcutaneous routes. Moderately toxic by parenteral route. When heated to decomposition it emits very toxic fumes of NOx and Cl−. See also (−)-MORPHINE. |
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Chemistry
Molecule structure of Morphine methylchloride (CAS NO.14075-02-6):
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Molecular Weight: 335.82518 g/mol
Molecular Formula: C18H22ClNO3
H-Bond Donor: 2
H-Bond Acceptor: 4
Tautomer Count: 2
Exact Mass: 335.128821
MonoIsotopic Mass: 335.128821
Topological Polar Surface Area: 49.7
Heavy Atom Count: 23
Complexity: 532
Defined Atom StereoCenter Count: 5
Canonical SMILES: C[N+]1(CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C(C=C4)O)C.[Cl-]
Isomeric SMILES: C[N+]1(CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O)C.[Cl-]
InChI: InChI=1S/C18H21NO3.ClH/c1-19(2)8-7-18-11-4-6-14(21)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19;/h3-6,11-12,14,17,21H,7-9H2,1-2H3;1H/t11-,12+,14-,17-,18-;/m0./s1
InChIKey of Morphine methylchloride (CAS NO.14075-02-6): MJNCZWBHCFTYFU-SCLAZZCHSA-N
Toxicity Data With Reference
| 1. | scu-mus LDLo:271 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 49 (1933),319. | ||
| 2. | ivn-mus LD50:32,700 µg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 157 (1967),185. | ||
| 3. | scu-rbt LDLo:172 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 49 (1933),319. | ||
| 4. | par-frg LDLo:2500 mg/kg | JPETAB Journal of Pharmacology and Experimental Therapeutics. 49 (1933),319. |
Safety Profile
Poison by intravenous and subcutaneous routes. Moderately toxic by parenteral route. When heated to decomposition it emits very toxic fumes of NOx and Cl−. See also (−)-MORPHINE.
Specification
Morphine methylchloride (CAS NO.14075-02-6) is also named as 7,8-Didehydro-4,5-epoxy-3,6-dihydroxy-17,17-dimethylmorphinanium chloride, (5alpha,6alpha)- ; Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, methochloride ; Morphinanium, 7,8-didehydro-4,5-alpha-epoxy-3,6-alpha-dihydroxy-17,17-dimethyl-, chloride ; N-Methyl morphine chloride ; N-Methylmorphinium chloride ; Morphinanium, 7,8-didehydro-3,6-dihydroxy-17,17-dimethyl-4,5-epoxy-, chloride ; Morphinanium, 7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17,17-dimethyl-, chloride, (5alpha,6alpha)- .