Risperidone EP Impurity M - CAS 84163-77-9
Catalog: |
BB037139 |
Product Name: |
Risperidone EP Impurity M |
CAS: |
84163-77-9 |
Synonyms: |
6-Fluoro-3-(4-piperidinyl)benzisoxazole; Paliperidone related compound B |
IUPAC Name: | 6-fluoro-3-piperidin-4-yl-1,2-benzoxazole |
Description: | An impurirty of Risperidone, a combined serotonin (5-HT2) and dopamine (D2) receptor antagonist. |
Molecular Weight: | 220.24 |
Molecular Formula: | C12H13FN2O |
Canonical SMILES: | C1CNCCC1C2=NOC3=C2C=CC(=C3)F |
InChI: | InChI=1S/C12H13FN2O/c13-9-1-2-10-11(7-9)16-15-12(10)8-3-5-14-6-4-8/h1-2,7-8,14H,3-6H2 |
InChI Key: | MRMGJMGHPJZSAE-UHFFFAOYSA-N |
Boiling Point: | 359 °C at 760 mmHg |
Melting Point: | 59-62 °C |
Purity: | 98.0 % |
Density: | 1.216 g/cm3 |
Appearance: | White crystalline powder |
Storage: | -20 °C Freezer |
LogP: | 2.76270 |
GHS Hazard Statement: | H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-112624992-A | Purification method of 6-fluoro-3- (4-piperidyl) -1, 2-benzisoxazole hydrochloride | 20210119 |
CN-112830922-A | Preparation method of paliperidone intermediate | 20210108 |
WO-2021132311-A1 | Aliphatic acid amide derivative | 20191224 |
WO-2021098737-A1 | Fused heterocyclic derivative and use thereof | 20191118 |
CN-110590575-A | Dye intermediate N-ethyl-N-gamma-hydroxy N-propyl m-toluidine and preparation method of esterification product thereof | 20191009 |
PMID | Publication Date | Title | Journal |
21211872 | 20110201 | Synthesis of elastin based peptides conjugated to benzisoxazole as a new class of potent antimicrobials--A novel approach to enhance biocompatibility | European journal of medicinal chemistry |
19066725 | 20091201 | Synthesis of novel 6-fluoro-3-(4-piperidinyl)-1,2-benzisoxazole derivatives as antiproliferative agents: a structure-activity relationship study | Investigational new drugs |
15846867 | 20050401 | Synthesis and characterization of novel 6-fluoro-4-piperidinyl-1,2-benzisoxazole amides and 6-fluoro-chroman-2-carboxamides: antimicrobial studies | Bioorganic & medicinal chemistry |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 220.10119120 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 220.10119120 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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