Home Page Flashcards Penfluridol C28H27ClF5NO structure - Flashcards

Penfluridol C28H27ClF5NO structure – Flashcards

Flashcard maker : Aiden Boyd

Contents

Experimental Melting Point:
Experimental Solubility:
Safety:
Target Organs:
Drug Status:
Compound Source:
Bio Activity:
Retention Index (Kovats):
Retention Index (Normal Alkane):

Molecular Formula	C₂₈H₂₇ClF₅NO
Average mass	523.965 Da
Density	1.3±0.1 g/cm³
Boiling Point	587.7±50.0 °C at 760 mmHg
Flash Point	309.2±30.1 °C
Molar Refractivity	129.9±0.3 cm³
Polarizability	51.5±0.5 10^-24cm³
Surface Tension	42.0±3.0 dyne/cm
Molar Volume	406.1±3.0 cm³

Experimental data
Predicted – ACD/Labs
Predicted – ChemAxon

Experimental Physico-chemical Properties
- Experimental Melting Point:
  
  106 °C Jean-Claude Bradley Open Melting Point Dataset 17387
- Experimental Solubility:
  
  10 mM in DMSO MedChem Express http://www.medchemexpress.com/Cefazolin-sodium.html, HY-B1077

Miscellaneous

Safety:

Danger Biosynth W-107147

GHS06 Biosynth W-107147

H301 Biosynth W-107147

IRRITANT Matrix Scientific 076181

P301+P310 Biosynth W-107147
Target Organs:

Dopamine Receptor antagonist TargetMol T1105
Drug Status:

approved BIONET-Key Organics KS-5104
Compound Source:

synthetic; McN-JR-16341, R-16341 Microsource
[01505691]

Bio Activity:

Calcium Channel MedChem Express HY-B1077

Dopamine receptor TargetMol T1105

Membrane Tranporter/Ion Channel MedChem Express HY-B1077

Membrane Tranporter/Ion Channel; MedChem Express HY-B1077

Neuroscience TargetMol T1105

Penfluridol is a highly potent, first generation diphenylbutylpiperidine antipsychotic. MedChem Express http://www.medchemexpress.com/Cefazolin-sodium.html, HY-B1077

Gas Chromatography

Retention Index (Kovats):

3275 (estimated with error: 89) NIST Spectra mainlib_379158, replib_248697, replib_120889

Retention Index (Normal Alkane):

3311 (Program type: Ramp; Column cl… (show more) ass: Standard non-polar; Column length: 2 m; Column type: Packed; CAS no: 26864562; Active phase: OV-101; Substrate: Gas Chrom Q; Data type: Normal alkane RI; Authors: Buydens, L.; Massart, D.L.; Geerlings, P., Relationship Between Gas Chromatographic Behavior and Topological, Physicochemical, and Quantum Chemically Calculated Charge Parameters for Neuroleptica, J. Chromatogr. Sci., 23, 1985, 304-307.) NIST Spectra nist ri

Predicted data is generated using the ACD/Labs Percepta Platform – PhysChem Module

Density:	1.3±0.1 g/cm³
Boiling Point:	587.7±50.0 °C at 760 mmHg
Vapour Pressure:	0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization:	92.3±3.0 kJ/mol
Flash Point:	309.2±30.1 °C
Index of Refraction:	1.553
Molar Refractivity:	129.9±0.3 cm³
#H bond acceptors:	2
#H bond donors:	1
#Freely Rotating Bonds:	8
#Rule of 5 Violations:	2

ACD/LogP:	6.01
ACD/LogD (pH 5.5):	3.58
ACD/BCF (pH 5.5):	74.33
ACD/KOC (pH 5.5):	139.15
ACD/LogD (pH 7.4):	5.27
ACD/BCF (pH 7.4):	3592.44
ACD/KOC (pH 7.4):	6725.21
Polar Surface Area:	23 Å²
Polarizability:	51.5±0.5 10^-24cm³
Surface Tension:	42.0±3.0 dyne/cm
Molar Volume:	406.1±3.0 cm³

Click to predict properties on the Chemicalize site

Penfluridol C28H27ClF5NO structure – Flashcards

Experimental Melting Point:

Experimental Solubility:

Safety:

Target Organs:

Drug Status:

Compound Source:

Bio Activity:

Retention Index (Kovats):

Retention Index (Normal Alkane):

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