Tidembersat
Basic information
- CAS
175013-73-7- Standard SMILES
CC(=O)c1ccc2c(c1)[C@H](NC(=O)c1cc(F)cc(F)c1)[C@@H](O)C(C)(C)O2- InChIKey
NWHCDESSIHFNIJ-ZWKOTPCHSA-N- Molecular formula
- C20H19F2NO4
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.12821441
Overview
Tidembersat is a small molecule drug. Tidembersat has a monoisotopic molecular weight of 375.13 Da.
Names & identifiers
- Preferred name
- Tidembersat
- IUPAC
- N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,5-difluorobenzamide
- English name
- TideMbersat
- Molecular formula
- C20H19F2NO4
- Molecular weight
- 375.37
Names & synonyms
Tidembersat175013-73-7SB-218842FGW9117ZCKN-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3,5-difluorobenzamideBenzamide, N-(6-acetyl-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl)-3,5-difluoro-, (3R-trans)-Tidembersat [USAN]TIDEMBERSAT [INN]Tidembersat (USAN/INN)Tidembersat [USAN:INN]UNII-FGW9117ZCKTIDEMBERSAT [WHO-DD]
Show more names
N-[(3R,4S)-6-acetyl-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5-difluorobenzamideBenzamide, N-[(3R,4S)-6-acetyl-3,4-dihydro-3-hydroxy-2,2-dimethyl-2H-1-benzopyran-4-yl]-3,5-difluoro-
orb1983681SCHEMBL1231138CHEMBL2107087NWHCDESSIHFNIJ-ZWKOTPCHSA-NDTXSID301351051TP2417TS-10618HY-118182
Database identifiers
- CAS
175013-73-7
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 574
Physicochemical properties
- Boiling point
- 517.6 · 517.6±50.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 12.05 · 12.05±0.60(Predicted)
- FDA UNII
- 9117 ZCK · FGW9117ZCK
Chemistry & industry
Applications
UsesTidembersat (Example 4) is a benzopyran derivative that can be used in the research of a variety of CNS disorders and traumatic brain injury[1].
Related reactions
1 records
Compound notes
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