2D Chemical StructureDatabase ID 169446213
No renderable structure data available
SMILES
CC(C)C1=NC(=NC2=C1C[C@@H](C3=C2C=CC(=C3)F)[C@H](C[C@H](CC(=O)[O-])O)O)N(C)S(=O)(=O)C.CC(C)C1=NC(=NC2=C1C[C@@H](C3=C2C=CC(=C3)F)[C@H](C[C@H](CC(=O)[O-])O)O)N(C)S(=O)(=O)C.[Ca+2]Structure data verified · Database ID 169446213
Chemical Intermediate
(3R,5S)-5-((S)-8-fluoro-4-isopropyl-2-(N-methylmethylsulfonamido)-5,6-dihydrobenzo[h]quinazolin-6-yl)-3,5-dihydroxypentanoate calcium(II)
CAS 854898-50-3Product ID 724021
| Intermediates | (3R,5S)-5-((S)-8-fluoro-4-isopropyl-2-(N-methylmethylsulfonamido)-5,6-dihydrobenzo[h]quinazolin-6-yl)-3,5-dihydroxypentanoate calcium(II) |
|---|---|
| IUPAC Name | — |
| CAS Number | 854898-50-3 |
| Database ID | 169446213 |
| Molecular Formula | — |
| Molecular Weight | — |
Product Information
(3R,5S)-5-((S)-8-fluoro-4-isopropyl-2-(N-methylmethylsulfonamido)-5,6-dihydrobenzo[h]quinazolin-6-yl)-3,5-dihydroxypentanoate calcium(II)
(3R,5S)-5-((S)-8-fluoro-4-isopropyl-2-(N-methylmethylsulfonamido)-5,6-dihydrobenzo[h]quinazolin-6-yl)-3,5-dihydroxypentanoate calcium(II) (CAS 854898-50-3) product identity, structure identifiers and related reaction data for chemical intermediate research and sourcing review.
CAS Number854898-50-3
Database ID169446213
Molecular Formula—
Updated2026-10-16
Potential Applications
Potential Applications
For professional research and industrial use only
Database ID 169446213
Computed Properties
Exact Mass—
XLogP—
Topological Polar Surface Area—
Hydrogen Bond Donors—
Hydrogen Bond Acceptors—
Rotatable Bonds—
- IUPAC Name
- —
- InChIKey
- —
- SMILES
- CC(C)C1=NC(=NC2=C1C[C@@H](C3=C2C=CC(=C3)F)[C@H](C[C@H](CC(=O)[O-])O)O)N(C)S(=O)(=O)C.CC(C)C1=NC(=NC2=C1C[C@@H](C3=C2C=CC(=C3)F)[C@H](C[C@H](CC(=O)[O-])O)O)N(C)S(=O)(=O)C.[Ca+2]
- 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 854898-50-3(3R,5S)-5-((S)-8-fluoro-4-isopropyl-2-(N-methylmethylsulfonamido)-5,6-dihydrobenzo[h]quinazolin-6-yl)-3,5-dihydroxypentanoate calcium(II)
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