S-Metazocine
(E)-but-2-enedioic acid;S-[(1R,9R,13R)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl] benzenecarbothioate
Also Known As: S-Metazocine|Benzenecarbothioic acid, S-(1,2,3,4,5,6-hexahydro-3,6,11-trimethyl-2,6-methano-3-benzazocin-8-yl) ester, (2-alpha,6-alpha,11R*)-, (+-)-, (E)-2-butenedioate (1:1), hydrate
CAS: 71780-68-2
| Molecular Formula | C26H29NO5S |
|---|---|
| Molecular Weight | 467.17664 g/mol |
| LogP | 4.4849 |
| Topological Polar Surface Area | 94.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.17664 |
| Monoisotopic Mass | 467.17664 |
| Heavy Atoms | 33 |
| Complexity | 1051.6068 |
Chemical Identifiers
| CAS Number | 71780-68-2 |
|---|---|
| SMILES | C[C@H]1[C@H]2CC3=C([C@@]1(CCN2C)C)C=C(C=C3)SC(=O)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
S-Metazocine (CAS 71780-68-2), with molecular formula C26H29NO5S and molecular weight 467.17664 g/mol. IUPAC: (E)-but-2-enedioic acid;S-[(1R,9R,13R)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-yl] benzenecarbothioate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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