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Name |
Centpropazine |
EINECS | N/A |
CAS No. | 34675-77-9 | Density | 1.147g/cm3 |
PSA | 53.01000 | LogP | 2.84410 |
Solubility | N/A | Melting Point |
N/A |
Formula | C22H28 N2 O3 | Boiling Point | 560.7°Cat760mmHg |
Molecular Weight | 368.476 | Flash Point | 292.9°C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-(p-Propionylphenoxy)-3-(4-phenylpiperazinyl)-2-propanol;4'-[2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]propiophenone; Centpropazine |
Article Data | 1 |
Molecular structure of Centpropazine (CAS NO.34675-77-9) is:
Product Name: Centpropazine
CAS Registry Number: 34675-77-9
IUPAC Name: 1-[4-[2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
Molecular Weight: 368.46932 [g/mol]
Molecular Formula: C22H28N2O3
XLogP3-AA: 3.1
H-Bond Donor: 1
H-Bond Acceptor: 5
Index of Refraction: 1.576
Molar Refractivity: 106.38 cm3
Molar Volume: 321.1 cm3
Surface Tension: 46.8 dyne/cm
Density: 1.147 g/cm3
Flash Point: 292.9 °C
Enthalpy of Vaporization: 88.73 kJ/mol
Boiling Point: 560.7 °C at 760 mmHg
Vapour Pressure: 2.08E-13 mmHg at 25 °C
Classification Code: Drug / Therapeutic Agent ;Human Data
Canonical SMILES: CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O
InChI: InChI=1S/C22H28N2O3/c1-2-22(26)18-8-10-21(11-9-18)27-17-20(25)16-23-12-14-24(15-13-23)19-6-4-3-5-7-19/h3-11,20,25H,2,12-17H2,1H3
InChIKey: ZQPXSRTZFYHSFB-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
human | TDLo | oral | 1710ug/kg (1.71mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) | Drugs of the Future. Vol. 5, Pg. 338, 1980. |
mouse | LD50 | intraperitoneal | 270mg/kg (270mg/kg) | BEHAVIORAL: WAKEFULNESS | Journal of Medicinal Chemistry. Vol. 15, Pg. 286, 1972. |
Centpropazine , its cas register number is 34675-77-9. It also can be called 1-{4-[2-Hydroxy-3-(4-phenyl-1-piperazinyl)propoxy]phenyl}-1-propanone 1-(p-Propionylphenoxy)-3-(4-phenylpiperazinyl)-2-propanol ; 3-(4-Phenylpiperazinyl)-1-(4-propionylphenoxy)propan-2-ol ; 4'-(2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy)propiophenone .