Product Name: Etodroxizine (CAS NO.17692-34-1)
Molecular Formula: C23H31ClN2O3
Molecular Weight: 419.01g/mol
Mol File: 17692-34-1.mol
Boiling point: 538 °C at 760 mmHg
Flash Point: 279.2 °C
Density: 1.175 g/cm3
Surface Tension: 47.1 dyne/cm
Enthalpy of Vaporization: 85.79 kJ/mol
Vapour Pressure: 2.08E-12 mmHg at 25°C
XLogP3-AA: 3.6
H-Bond Donor: 1
H-Bond Acceptor: 5
Structure Descriptors of Etodroxizine (CAS NO.17692-34-1):
IUPAC Name: 2-[2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethoxy]ethanol
Canonical SMILES: C1CN(CCN1CCOCCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI: InChI=1S/C23H31ClN2O3/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)26-12-10-25(11-13-26)14-16-28-18-19-29-17-15-27/h1-9,23,27H,10-19H2
InChIKey: VUFOCTSXHUWGPW-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 70mg/kg (70mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 236, 1972. | |
mouse | LD50 | oral | 540mg/kg (540mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 236, 1972. | |
rat | LD50 | intravenous | 58mg/kg (58mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 236, 1972. | |
rat | LD50 | oral | 920mg/kg (920mg/kg) | "Psychotropic Drugs and Related Compounds," 2nd ed., Usdin, E., and D.H. Efron, Washington, DC, 1972Vol. -, Pg. 236, 1972. |
A poison by intravenous. Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−.
Etodroxizine , its CAS NO. is 17692-34-1, the synonyms are 4-23-00-00104 (Beilstein Handbook Reference) ; 8-(4-(4-Chlorophenylphenylmethyl)piperazinyl)-3,6-dioxaoctanol ; BRN 0345800 ; Etodroxicina ; Etodroxine ; Etodroxizinum ; Hydrochlorbenzethylamine ; UCB 1414 ; UNII-CI1S3XAK7O ; Vesparax-wirkstoff ; 2- 2-(2-(4-(p-Chloro-alpha-phenylbenzyl)-1-piperazinyl)ethoxy)ethoxy ethanol ; 3,6-Dioxaoctanol, 8-(4-(4-chlorophenylphenylmethyl)piperazinyl)- ; Ethanol, 2-(2-(2-(4-((4-chlorophenyl)phenylmethyl)-1-piperazinyl)ethoxy)ethoxy)- (9CI) .
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