(2-phenylethyl)hydrazine; sulfuric acid

• ChemBase ID: 104494
• Molecular Formular: C8H14N2O4S
• Molecular Mass: 234.27276
• Monoisotopic Mass: 234.06742794
• SMILES: NNCCc1ccccc1.OS(=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-phenylethyl)hydrazine; sulfuric acid
• IUPAC Traditional name: phenelzine; sulfuric acid
• Synonyms: (2-Phenylethyl)hydrazine dihydrogen sulfate; (β-Phenylethyl)hydrazine dihydrogen sulfate; 2-Phenethylhydrazine sulfate; Estinerval; Fenelzin; Kalgan; Mao-rem; NSC 170957; Nardelzine; Nardil; Phenelzine Acid Sulfate; Phenelzine Bisulfate; Phenelzine Dihydrogen Sulfate; Phenelzine Hydrogen Sulfate; Phenethylhydrazine Sulfate; Stinerval; W 1544A; Phenelzine Sulfate; PHENELZINE SULFATE SALT; Phenelzine sulfate salt

Database IDs

• CAS Number: 156-51-4
• EC Number: 205-856-0
• MDL Number: MFCD00050687
• PubChem SID: 24278646; 162091880
• PubChem CID: 61100

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: 16.82067 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: MV8750000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 22; R:22
• Safety Statements: S:36/37/39
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301
• GHS Precautionary statements: P301 + P310
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

Pharmacology Properties

• Gene Information: human ... MAOA(4128), MAOB(4129)

Product Information

• Purity: ≥97%

DETAILS

MP Biomedicals - 02156136

Sulfate Salt
Purity: >97%

Sigma Aldrich - P6777

Biochem/physiol Actions
Non-selective MAO-A/B inhibitor.

Toronto Research Chemicals - P295900

A 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 of major d

REFERENCES

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