Basic information
- CAS
168828-60-2- Standard SMILES
CC(=O)NC[C@H]1CN(c2ccc(N3CCS(=O)CC3)c(F)c2)C(=O)O1- InChIKey
WNRIDZUNMXATND-ZDUSSCGKSA-N- Molecular formula
- C16H20FN3O4S
- Average molar mass
- 369.4 g/mol
- Monoisotopic mass
- 369.11585546
Names & identifiers
- Preferred name
- (S)-N-((3-(3-fluoro-4-(1-oxidothiomorpholino)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamide
- IUPAC
- N-[[(5S)-3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
- English name
- Acetamide, N-[[(5S)-3-[3-fluoro-4-(1-oxido-4-thiomorpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-
- Molecular formula
- C16H20FN3O4S
- Molecular weight
- 369.41
Names & synonyms
168828-60-2PNU-101603(S)-N-((3-(3-fluoro-4-(1-oxidothiomorpholino)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamideN-[[(5S)-3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamideSutezolid Sulfoxide MetaboliteC16H20FN3O4SN-[[(5S)-3-[3-fluoro-4-(1-oxo-1,4-thiazinan-4-yl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamideSutezolid sulfoxideU-101603CHEMBL134388orb1744438SCHEMBL5221998
Show more names
Acetamide, N-[[(5S)-3-[3-fluoro-4-(1-oxido-4-thiomorpholinyl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-(S)-N-((3-(3-fluoro-4-(1-oxidothiomorpholino)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamide(WXC06627)
WNRIDZUNMXATND-ZDUSSCGKSA-NC26337G9CYAKOS037647651AS-74388DA-66788HY-125941CS-0103234U-603
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 98.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 539
Physicochemical properties
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 100 mg/mL · DMSO : 100 mg/mL (270.70 mM; Need ultrasonic)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
UsesPNU-101603 is a sulfoxide metabolite of Sutezolid (HY-10392). PNU-101603 alone or combined with SQ109 (HY-14989) shows excellent activity against Mycobacterium tuberculosis (MTB), as well as against agent-susceptible and multidrug-resistant TB[1][2].
Suppliers6 total
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
4 records
Compound notes
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