Basic information
- Name:
Iloperidone
- CAS No.:
133454-47-4
- Molecular Structure:
- Formula:
- C24H27FN2O4
- Molecular Weight:
- 426.48
- Synonyms:
- HP 873;4'-(3-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidino)propoxy)-3'-methoxyacetophenone;Zomaril;Ethanone, 1-(4-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-methoxyphenyl)-;
- Density:
- 1.204 g/cm3
- Boiling Point:
- 593.7 °C at 760 mmHg
- Flash Point:
- 312.8 °C
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Chemistry
Product Name: Iloperidone (CAS NO.133454-47-4)
Molecular Formula: C24H27FN2O4
Molecular Weight: 426.48g/mol
Mol File: 133454-47-4.mol
Boiling point: 593.7 °C at 760 mmHg
Flash Point: 312.8 °C
Density: 1.204 g/cm3
Surface Tension: 45.2 dyne/cm
Enthalpy of Vaporization: 88.5 kJ/mol
Vapour Pressure: 4.6E-14 mmHg at 25°C
XLogP3-AA: 4.1
H-Bond Donor: 0
H-Bond Acceptor: 7
Structure Descriptors of Iloperidone (CAS NO.133454-47-4):
IUPAC Name: 1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl] propoxy]-3-methoxyphenyl]ethanone
Canonical SMILES: CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)OC
InChI: InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3
InChIKey: XMXHEBAFVSFQEX-UHFFFAOYSA-N
Specification
Iloperidone , its CAS NO. is 133454-47-4, the synonyms are 4'-(3-(4-(6-Fluoro-1,2-benzisoxazol-3-yl)piperidino)propoxy)-3'-methoxyacetophenone ; Ethanone, 1-(4-(3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propoxy)-3-methoxyphenyl)- ; Fanapt ; HP 873 ; UNII-VPO7KJ050N ; Zomaril .