2D Chemical StructureDatabase ID 10970860
No renderable structure data available
SMILES
C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CC[N+](CC4)(C)[O-])F)C(=O)OStructure data verified · Database ID 10970860
Chemical Intermediate
(2S)-7-fluoro-2-methyl-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
CAS 117678-38-3Product ID 658888
| Intermediates | (2S)-7-fluoro-2-methyl-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid |
|---|---|
| IUPAC Name | — |
| CAS Number | 117678-38-3 |
| Database ID | 10970860 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
(2S)-7-fluoro-2-methyl-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
(2S)-7-fluoro-2-methyl-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid (CAS 117678-38-3) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number117678-38-3
Database ID10970860
Molecular Formula—
Updated2023-01-08
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 10970860
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CC[N+](CC4)(C)[O-])F)C(=O)O
- InChI
- —
Safety Notice
Safety & Notes
For professional research and industrial use only. Review the supplier safety data sheet before handling.
PubChem References
Public References
These sources are listed in the compound's public database record.
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CAS 117678-38-3(2S)-7-fluoro-2-methyl-6-(4-methyl-4-oxidopiperazin-4-ium-1-yl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
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