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22958-08-3

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Basic Information
CAS No.: 22958-08-3
Name: 6β-Azido-4,5α-epoxy-3-methoxy-17-methylmorphinan
Molecular Structure:
Molecular Structure of 22958-08-3 (6β-Azido-4,5α-epoxy-3-methoxy-17-methylmorphinan)
Formula: C18H22 N4 O2
Molecular Weight: 326.398
Synonyms: Morphinan,6b-azido-4,5a-epoxy-3-methoxy-17-methyl-(8CI); 6-Azido-6-deoxydihydroisocodeine; Azidocodeine
Density: 1.1945 (rough estimate)
Boiling Point: 464.43°C (rough estimate)
Safety: Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition it emits toxic fumes of NOx. See also CODEINE and AZIDES.
PSA: 71.45000
LogP: 2.43376
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Chemistry

Empirical Formula of Azidocodeine (CAS NO.22958-08-3): C18H22N4O2
Molecular Weight: 326.3929
Structure of Azidocodeine (CAS NO.22958-08-3):
                           
Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)N=[N+]=[N-]
Isomeric SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@@H](CC4)N=[N+]=[N-]
InChI: InChI=1S/C18H22N4O2/c1-22-8-7-18-11-4-5-12(20-21-19)17(18)24-16-14(23-2)6-3-10(15(16)18)9-13(11)22/h3,6,11-13,17H,4-5,7-9H2,1-2H3/t11-,12+,13+,17-,18-/m0/s1
InChIKey: HHODTHJTFYCYHK-KEMUOJQUSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:120 mg/kg

     JPPMAB    Journal of Pharmacy and Pharmacology. 25 (1973),929.
2.    

scu-rat LD50:125 mg/kg

     JPPMAB    Journal of Pharmacy and Pharmacology. 25 (1973),929.
3.    

ivn-rat LD50:52 mg/kg

     JPPMAB    Journal of Pharmacy and Pharmacology. 25 (1973),929.

Safety Profile

Poison by ingestion, subcutaneous, and intravenous routes. When heated to decomposition Azidocodeine (CAS NO.22958-08-3) emits toxic fumes of NOx. See also CODEINE and AZIDES.

Specification

 Azidocodeine , its cas register number is 22958-08-3. It also can be called 6-Deoxy-6-azidodihydroisocodeine ; Morphinan, 6-azido-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha,6-beta)- ; and Morphinan, 6-beta-azido-4,5-alpha-epoxy-3-methoxy-17-methyl- .