2D Chemical StructureDatabase ID 58853307
No renderable structure data available
SMILES
CNCC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)OStructure data verified · Database ID 58853307
Chemical Intermediate
N-Monodesmethyl bedaquiline
CAS 654654-76-9Product ID 750186
| Intermediates | N-Monodesmethyl bedaquiline |
|---|---|
| IUPAC Name | — |
| CAS Number | 654654-76-9 |
| Database ID | 58853307 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
N-Monodesmethyl bedaquiline
N-Monodesmethyl bedaquiline (CAS 654654-76-9) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number654654-76-9
Database ID58853307
Molecular Formula—
Updated2026-10-16
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 58853307
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CNCC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)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 654654-76-9N-Monodesmethyl bedaquiline
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