基本情報
- CAS
156-51-4- 標準SMILES
NNCCc1ccccc1.O=S(=O)(O)O- InChIKey
RXBKMJIPNDOHFR-UHFFFAOYSA-N- 分子式
- C8H14N2O4S
- 平均分子量
- 234.28 g/mol
- 単同位体質量
- 234.06742811
名称と識別子
- 優先名称
- Phenelzine Sulfate
- IUPAC
- 2-phenylethylhydrazine;sulfuric acid
- 現地名
- フェネチルヒドラジン·硫酸塩
- 英語名
- Phenelzine Sulfate
- 分子式
- C8H14N2O4S
- 分子量
- 234.27
名称と別名
名称をさらに表示
データベース識別子
- CAS
156-51-4- PubChem CID
- 61100
- DTXSID
DTXSID3021144- ChEMBL
CHEMBL1200895- ChEBI
CHEBI:8061- UNII
- 2681D7P965
- EC Number
- 205-856-0
物性
構造計算による物性
- 極性表面積
- 121 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 6
- 回転可能結合数
- 3
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 159
物理化学的性質
- 融点
- 166.5 · 166.5-167.5 °C
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- 水に溶けやすい。エタノール (96%) およびエーテルに実質的に不溶。
- 外見
- A solid
- 色
- White to off-white
- 由来生物
- synthetic
- 水溶解度
- 50 mg/mL, · water: 50mg/mL, clear to slightly hazy, colorless to faintly yellow
- Merck
- 13 · 13,7300
- 主な用途
- 医薬品(低分子化合物)
- 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
- SMILES
- C1(CCNN)C=CC=CC=1.S(=O)(=O)(O)O
- CAS データベース
- 156 · 156-51-4
化学的性質
化学的特性A white powder or pearly platelets.
安全と法規制
GHS分類
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
毒性情報
Carcinogen Classification
Phenelzine sulfate
Group 3: Not classifiable as to its carcinogenicity to humans
Volume 24: (1980) Some Pharmaceutical Drugs;Volume Sup 7: Overall Evaluations of Carcinogenicity: An Updating of IARC Monographs Volumes 1 to 42, 1987; 440 pages; ISBN 92-832-1411-0 (out of print)
1987
1987
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Phenelzine sulfate
vLess-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
安全データ
- wgk
- 3
- rtecs
- MV8750000
- ridadr
- UN 2811 6.1/PG 3
- 毒性
- LD50 orally in mice: 156 mg/kg (Gylys)
- hs_code
- 2928002500
- risk_code
- 22
- hazard_code
- Xn
- hazard_class
- 6.1(b)
- packing_group
- III
- Hazard Classifications
- Acute Tox. 3 Oral
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
薬理情報
FDA Pharmacological Classification
PHENELZINE SULFATE
Monoamine Oxidase Inhibitors [MoA]; Monoamine Oxidase Inhibitor [EPC]
MeSH Pharmacological Classification
Mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. Several MONOAMINE OXIDASE INHIBITORS are useful as antidepressants apparently as a long-term consequence of their modulation of catecholamine levels. The tricyclic compounds useful as antidepressive agents (ANTIDEPRESSIVE AGENTS, TRICYCLIC) also appear to act through brain catecholamine systems. A third group (ANTIDEPRESSIVE AGENTS, SECOND-GENERATION) is a diverse group of drugs including some that act specifically on serotonergic systems.
A chemically heterogeneous group of drugs that have in common the ability to block oxidative deamination of naturally occurring monoamines. (From Gilman, et al., Goodman and Gilman's The Pharmacological Basis of Therapeutics, 8th ed, p414)
応用分野
使用Phenelzine Sulfate is 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 antidep ressant and anxiolytic used in the treatment of major depressive disorder (MDD) as well as other neural disorders.
一般的な説明Phenelzine sulfate, 2-(phenylethyl)hydrazine sulfate(Nardil), is an effective antidepressant agent. A mechanismbasedinactivator, it irreversibly inactivates the enzyme orits cofactor, presumably after oxidation to the diazine,which can then break up into molecular nitrogen, a hydrogen atom, and a phenethyl free radical. The latter would bethe active species in irreversible inhibition.
上流・下流製品情報
上流原料
サプライヤー69 社
関連反応
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