Vildagliptin Impurity 56 - CAS 19179-12-5
Catalog: |
BB014837 |
Product Name: |
Vildagliptin Impurity 56 |
CAS: |
19179-12-5 |
Synonyms: |
2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione; 2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
IUPAC Name: | 2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
Description: | Vildagliptin Impurity 56 is an impurity of Vildagliptin. It is an oral anti-hyperglycemic agent (anti-diabetic drug) of the dipeptidyl peptidase-4 (DPP-4) inhibitor class of drugs. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | C1CC2C(=O)NCC(=O)N2C1 |
InChI: | InChI=1S/C7H10N2O2/c10-6-4-8-7(11)5-2-1-3-9(5)6/h5H,1-4H2,(H,8,11) |
InChI Key: | OWOHLURDBZHNGG-UHFFFAOYSA-N |
Boiling Point: | 447.9±34.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Storage: | Store at -20°C |
LogP: | -0.62610 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22606987 | 20120801 | Induction of immune-related gene expression in Ctenopharyngodon idella kidney cells by secondary metabolites from immunostimulatory Alcaligenes faecalis FY-3 | Scandinavian journal of immunology |
17904590 | 20071101 | Peripheral administration of a novel diketopiperazine, NNZ 2591, prevents brain injury and improves somatosensory-motor function following hypoxia-ischemia in adult rats | Neuropharmacology |
15509170 | 20041104 | Structure-based exploration of cyclic dipeptide chitinase inhibitors | Journal of medicinal chemistry |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.074227566 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.4 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.6 |
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