Pyrrolidone hydrotribromide (3:1) - CAS 22580-55-8
Catalog: |
BB017674 |
Product Name: |
Pyrrolidone hydrotribromide (3:1) |
CAS: |
22580-55-8 |
Synonyms: |
Hydrogen tribromide, compd. with 2-pyrrolidinone (1:3); 2-Pyrrolidinone, compd. with (hydrogen tribromide) (3:1); Pyrrolidone hydrotribromide |
Related CAS: | 95443-35-9 (Deleted CAS)
|
Molecular Weight: | 496.03 |
Molecular Formula: | C4H7NO.1/3Br3H |
Canonical SMILES: | O=C1NCCC1.O=C1NCCC1.O=C1NCCC1.Br[BrH]Br |
InChI: | InChI=1S/3C4H7NO.Br3H/c3*6-4-2-1-3-5-4;1-3-2/h3*1-3H2,(H,5,6);3H |
InChI Key: | ITDWTSPGISAGCS-UHFFFAOYSA-N |
Purity: | 95% |
Appearance: | Orange to red powder or crystals |
Storage: | Store at 2-8°C |
MDL: | MFCD00082241 |
LogP: | 2.87450 |
Publication Number | Title | Priority Date |
TW-202045489-A | Protein secretion inhibitors | 20190228 |
WO-2020176863-A1 | Thiazole derivatives as protein secretion inhibitors | 20190228 |
US-2020190045-A1 | Ferroportin inhibitors and methods of use | 20181213 |
WO-2020123850-A1 | Ferroportin inhibitors and methods of use | 20181213 |
EP-3894416-A1 | Ferroportin inhibitors and methods of use | 20181213 |
Complexity: | 69.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 323.80573 |
Formal Charge: | -1 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 321.80778 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Pyrrolidines
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