Molecular Structure of Levoxadrol hydrochloride (CAS NO. 23257-58-1):
IUPAC Name: (2R)-2-Methyl-2-[(4R)-4-methyl-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine hydrochloride
Molecular Formula: C22H28ClNO2
Molecular Weight: 373.916220 g/mol
H-Bond Donor: 2
H-Bond Acceptor: 3
Canonical SMILES: CC1(CCCCN1)C2(COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)C.Cl
Isomeric SMILES: C[C@@]1(CCCCN1)[C@@]2(COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)C.Cl
InChI: InChI=1S/C22H27NO2.ClH/c1-20(15-9-10-16-23-20)21(2)17-24-22(25-21,18-11-5-3-6-12-18)19-13-7-4-8-14-19;/h3-8,11-14,23H,9-10,15-17H2,1-2H3;1H/t20-,21+;/m1./s1
InChIKey: FAVXTRMOUJUBQT-BHDTVMLSSA-N
Flash Point: 237.1 °C
Enthalpy of Vaporization: 74.45 kJ/mol
Boiling Point: 468.4 °C at 760 mmHg
Vapour Pressure of Levoxadrol hydrochloride (CAS NO. 23257-58-1): 3.6E-09 mmHg at 25 °C
1. | orl-rat LD50:310 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 153 (1965),105. | ||
2. | orl-mus LD60:230 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 153 (1965),105. | ||
3. | ivn-rbt LD50:25 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 153 (1965),105. |
Poison by ingestion and intravenous routes. When heated to decomposition it emits toxic fumes of NOx and HCl.
Levoxadrol hydrochloride with cas registry number of 23257-58-1 is also known as (-)-2-(2,2-Diphenyl-1,3-dioxolan-4-yl)piperidine hydrochloride ; CL 912C ; Levoxadrol HCl ; Levoxadrol hydrochloride [USAN] ; Levoxan ; NSC 526063 ; Relane ; U 22559A ; U-22,304A ; UNII-3ARD9VMM81 ; l-2,2-Diphenyl-4-(2-piperidyl)-1,3-dioxolane hydrochloride ; l-2-(2,2-Diphenyl-1,3-dioxolan-4-yl)piperidine hydrochloride ; l-Dioxadrol hydrochloride ; Piperidine, 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-, hydrochloride ; Piperidine, 2-(2,2-diphenyl-1,3-dioxolan-4-yl)-, hydrochloride, l- .
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