DES(6-fluoro-1,2-benzoxazole)-2,4-difluorobenzoyl risperidone

HCID 29941101

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Grundinformationen

CAS: 158697-67-7
Standard-SMILES: Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc(F)cc3F)CC1)CCCC2
InChIKey: VVQWCIXBRCHDBW-UHFFFAOYSA-N
Summenformel: C23H27F2N3O2
Durchschnittliche Molmasse: 415,5 g/mol
Monoisotopische Masse: 415,20713354

Namen und Bezeichner

Bevorzugter Name: DES(6-fluoro-1,2-benzoxazole)-2,4-difluorobenzoyl risperidone
IUPAC: 3-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Englischer Name: 2,4-Difluorobenzoyl Risperidone IMpurity
Summenformel: C23H27F2N3O2
Molmasse: 415.48

Namen und Synonyme

158697-67-7Risperidone impurity H [EP]DES(6-fluoro-1,2-benzoxazole)-2,4-difluorobenzoyl risperidoneUNII-9JFX9B33TN9JFX9B33TN3-[2-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one3-(2-(4-(2,4-Difluorobenzoyl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-4-one4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(2,4-difluorobenzoyl)-1-piperidinyl)ethyl)-6,7,8,9-tetrahydro-2-methyl-DTXSID40166497RISPERIDONE IMPURITY H [EP IMPURITY]RISPERIDONE IMPURITY H (EP IMPURITY)RISPERIDONE IMPURITY H

Weitere Namen anzeigen

Risperidone EP Imp HRisperidone Impurity 1RISPERIDONE DIFLUOROKETONE3-[2-[4-(2,4-Difluorobenzoyl)piperiRisperidone Impurity 8(Risperidone EP Impurity H)Risperidone EP Impurity H (Risperidone Difluoroketone)3-[2-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrim

3-{2-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethyl}-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-oneRefChem:132097DTXCID30889882,4-Difluorobenzoyl Risperidone ImpurityRisperidone EP Impurity H3-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one3-[2-[4-(2,4-Difluorobenzoyl)-1-piperidinyl]ethyl]-6,7,8,9-tetrahydro-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one3-[2-[4-(2,4-Difluorobenzoyl)piperidin-1-yl]ethyl]-2-methyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one; 3-[2-[4-(2,4-Difluorobenzoyl)piperidino]ethyl]-6,7,8,9-

Datenbank-Bezeichner

CAS: 158697-67-7
PubChem CID: 29941101
DTXSID: DTXSID40166497
UNII: 9JFX9B33TN
EC Number: 642-129-0

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 53 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 5
Schwere Atome: 30
Formalladung: 0
Komplexität: 743

Physikochemische Eigenschaften

Schmelzpunkt: 466 · 466-467 °C
Siedepunkt: 543.6 · 543.6±60.0 °C(Predicted)
Dichte: 1.32 · 1.32±0.1 g/cm3(Predicted)
storage temp.: Refrigerator
Löslichkeit: Chloroform (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 7.92 · 7.92±0.10(Predicted)
Farbe: Off-White to Pale Beige
Major Application: pharmaceutical small molecule

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Sicherheitsdaten

wgk: WGK 3
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 Oral