Basic information
- Name:
1-Propanone,3-[4-(2-ethoxy-2-phenylethyl)-1-piperazinyl]-2-methyl-1-phenyl-, hydrochloride(1:2)
- Superlist Name:
- Eprazinone dihydrochloride
- CAS No.:
10402-53-6
- Molecular Structure:
![Molecular Structure of 10402-53-6 (1-Propanone,3-[4-(2-ethoxy-2-phenylethyl)-1-piperazinyl]-2-methyl-1-phenyl-, hydrochloride(1:2))](http://www.lookchem.com/300w/2010/072/10402-53-6.jpg)
- Formula:
- C24H34Cl2N2O2
- Molecular Weight:
- 453.50
- Synonyms:
- Mucitux;NSC 317935;Resplen;Propiophenone, 3-[4-(b-ethoxyphenethyl)-1-piperazinyl]-2-methyl-,dihydrochloride (8CI);1-Propanone,3-[4-(2-ethoxy-2-phenylethyl)-1-piperazinyl]-2-methyl-1-phenyl-,dihydrochloride (9CI);746CE;Eftapan;Eprazinone dihydrochloride;Eprazinone hydrochloride;1-(2-Benzoylpropyl)-2-(2-ethoxy-2-phenylethyl)piperazine dihydrochloride;1-(2-Phenyl-2-ethoxy)ethyl-4-(2-benzyloxy)propylpiperazine dihydrochloride;3-(4-(2-Ethoxy-2-phenylethyl)-1-piperazinyl)-2-methyl-1-phenyl-1-propanone dihydrochloride;3-(4-(beta-Ethoxyphenethyl)-1-piperazinyl)-2-methyl-1-propiophenone dihydrochloride;1-Propanone, 3-(4-(2-ethoxy-2-phenylethyl)-1-piperazinyl)-2-methyl-1-phenyl-, dihydrochloride;3-(4-(beta-Ethoxyphenethyl)-1-piperazinyl)-2-methylpropiophenone dihydrochloride;Propiophenone, 2-(4-(beta-ethoxyphenethyl)-1-piperazinyl)methyl-, dihydrochloride;
- EINECS:
- 233-872-8
- Boiling Point:
- 503.9 °C at 760 mmHg
- Flash Point:
- 258.5 °C
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Specification
The CAS registry number of Eprazinone dihydrochloride is 10402-53-6. The IUPAC name is 3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one dihydrochloride. Its EINECS registry number is 233-872-8. In addition, the formula is C24H34Cl2N2O2 and the molecular weight is 453.44496.
Physical properties about Eprazinone dihydrochloride are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 3.52; (5)ACD/BCF (pH 5.5): 25.85; (6)ACD/BCF (pH 7.4): 269.62; (7)ACD/KOC (pH 5.5): 176.72; (8)ACD/KOC (pH 7.4): 1843.42; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 32.78 Å2; (13)Flash Point: 258.5 °C; (14)Enthalpy of Vaporization: 77.32 kJ/mol; (15)Boiling Point: 503.9 °C at 760 mmHg; (16)Vapour Pressure: 2.8E-10 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Cl.O=C(c1ccccc1)C(C)CN3CCN(CC(OCC)c2ccccc2)CC3
(2)InChI: InChI=1/C24H32N2O2.2ClH/c1-3-28-23(21-10-6-4-7-11-21)19-26-16-14-25(15-17-26)18-20(2)24(27)22-12-8-5-9-13-22;;/h4-13,20,23H,3,14-19H2,1-2H3;2*1H
(3)InChIKey: BPMQVOKMMQFZGV-UHFFFAOYAP
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 116mg/kg (116mg/kg) | Beijing Yixueyuan Xuebao. Journal of Peking Medical College. Vol. 13(2), Pg. 98, 1981. | |
| mouse | LD50 | intravenous | 20mg/kg (20mg/kg) | Beijing Yixueyuan Xuebao. Journal of Peking Medical College. Vol. 13(2), Pg. 98, 1981. | |
| mouse | LD50 | oral | 286mg/kg (286mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 232, 1979. | |
| mouse | LD50 | subcutaneous | 300mg/kg (300mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES | Oyo Yakuri. Pharmacometrics. Vol. 2, Pg. 314, 1968. |
| rat | LD50 | intraperitoneal | 191mg/kg (191mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 232, 1979. | |
| rat | LD50 | oral | 763mg/kg (763mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 232, 1979. | |
| rat | LD50 | subcutaneous | 238mg/kg (238mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 232, 1979. |