[2-phenyl(2H4)ethyl]hydrazine; sulfuric acid

• ChemBase ID: 176450
• Molecular Formular: C8H14N2O4S
• Molecular Mass: 234.27276
• Monoisotopic Mass: 234.06742794
• SMILES: c1ccc(cc1)CCNN.S(=O)(=O)(O)O
• Canonical SMILES: OS(=O)(=O)O.NNCCc1ccccc1
• InChI: InChI=1S/C8H12N2.H2O4S/c9-10-7-6-8-4-2-1-3-5-8;1-5(2,3)4/h1-5,10H,6-7,9H2;(H2,1,2,3,4)
• InChIKey: RXBKMJIPNDOHFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-phenyl(^2H₄)ethyl]hydrazine; sulfuric acid
• IUPAC Traditional name: [2-phenyl(^2H₄)ethyl]hydrazine; sulfuric acid
• Synonyms: [2-Phenyl(ethyl-d4)]hydrazine dihydrogen sulfate; [β-Phenyl(ethyl-d4)]hydrazine dihydrogen sulfate; 2-Phen(ethyl-d4)hydrazine sulfate; Estinerval-d4; Fenelzin-d4; Kalgan-d4; Mao-rem-d4; NSC 170957-d4; Nardelzine-d4; Nardil-d4; Phenelzine Acid-d4 Sulfate; Phenelzine-d4 Bisulfate; Phenelzine-d4 Dihydrogen Sulfate; Phenelzine-d4 Hydrogen Sulfate; Phen(ethyl-d4)hydrazine Sulfate; Stinerval-d4; W 1544A-d4; Phenelzine-d4 Sulfate

Database IDs

• PubChem SID: 164232360
• PubChem CID: 71751568

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.87542254
• LogD (pH = 7.4): 1.1969012
• Log P: 1.2030201
• Molar Refractivity: 54.2633 cm^3
• Polarizability: 16.902952 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - P295902

A labelled hydrazine derivative that is a non-selective and irreversible monoamine oxidase inhibitor (MAOI) and also inhibits GABA-transaminase (GABA-T), markedly increasing brain GABA levels. It is an antidepressant and anxiolytic used in the treatment o

REFERENCES

• MacKenzie, E.M. et al.: Neurochem. Res., 33, 430 (2008)
• Chiche, F. et al.: Mol. Pharmacol., 75, 1052 (2008)
• McKenna, K.F, et al.: J. Neural Trans., 41, 115 (2008)