Strobamine structure

Strobamine

(1S,5S,9R)-12-methyl-5-phenyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodec-2(7)-en-3-one

Also Known As: Strobamine|J2.781.927C|(1S,5S,9R)-12-Methyl-5-phenyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodec-2(7)-en-3-one|Cyclohepta(6)pyran-5,8-imin-4(5H)-one, 2,3,6,7,8,9-hexahydro-10-methyl-2-phenyl-, (2alpha,5beta,8beta)-(+)-|(+)-(2alpha,5beta,8beta)-2,3,6,7,8,9-Hexahydro-10-methyl-2-phenylcyclohepta(b)pyran-5,8-imin-4(5H)-one|(2S,5S,8R)-2,3,6,7,8,9-Hexahydro-10-methyl-2-phenylcyclohepta[b]pyran-5,8-imin-4(5H)-one|2,3,6,7,8,9-Hexahydro-10-methyl-2alpha-phenyl-5beta,8beta-epiminocyclohepta[b]pyran-4(5H)-one

CAS: 75656-91-6
Molecular Formula C17H19NO2
Molecular Weight 269.14157 g/mol
LogP 2.0
Topological Polar Surface Area 29.5 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
Rotatable Bonds 1
Exact Mass 269.14157
Monoisotopic Mass 269.14157
Heavy Atoms 20
Complexity 450.0

Chemical Identifiers

CAS Number 75656-91-6
SMILES CN1[C@@H]2CC[C@H]1C3=C(C2)O[C@@H](CC3=O)C4=CC=CC=C4
InChIKey SMCUGCCLJBVSAQ-IPYPFGDCSA-N

Product Overview

Strobamine (CAS 75656-91-6), with molecular formula C17H19NO2 and molecular weight 269.14157 g/mol. IUPAC: (1S,5S,9R)-12-methyl-5-phenyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodec-2(7)-en-3-one.

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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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