基本情報
- CAS
54-92-2- 標準SMILES
CC(C)NNC(=O)c1ccncc1- InChIKey
NYMGNSNKLVNMIA-UHFFFAOYSA-N- 分子式
- C9H13N3O
- 平均分子量
- 179.22 g/mol
- 単同位体質量
- 179.10586205
概要
Iproniazid is a member of pyridines and a carbohydrazide.
名称と識別子
- 優先名称
- Iproniazid
- IUPAC
- N'-propan-2-ylpyridine-4-carbohydrazide
- 現地名
- イプロニアジド
- 英語名
- iproniazid
- 分子式
- C9H13N3O
- 分子量
- 179.22
名称と別名
iproniazid54-92-2IprazidIproniazideEuphozidRivivolN'-isopropylpyridine-4-carbohydrazide4-Pyridinecarboxylic acid, 2-(1-methylethyl)hydrazideIproniazidaIproniazidumRo 2-45721-Isonicotinoyl-2-isopropylhydrazine
名称をさらに表示
イプロニアジド1-イソニコチノイル-2-イソプロピルヒドラジンイソニコチン酸2-イソプロピルヒドラジドN′-(1-メチルエチル)-4-ピリジンカルボヒドラジドユーホジドオイホジドマルサリドマルシリドN'-(プロパン-2-イル)ピリジン-4-カルボヒドラジド1-イソニコチニル-2-イソプロピルヒドラジンイプラジド4-ピリジンカルボン酸2-イソプロピルヒドラジドIproniazid>Iproniazid - Bio-X ?n’-isopropylisonicotinohydrazideN'-propan-2-ylpyridine-4-carbohydrazide
Isonicotinic acid 2-isopropylhydrazideD892HFI3XADTXSID5023168RefChem:148662DTXCID503168200-218-8N'-IsopropylisonicotinohydrazideMarsilid
データベース識別子
- CAS
54-92-2
物性
構造計算による物性
- XLogP
- 0.4
- 極性表面積
- 54 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 3
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 164
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
LogP0.33
Human DrugsPharmaceuticals
Melting Point161-161.5
Collision Cross Section131.31 Ų [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
物理化学的性質
- 融点
- 112.5 · 112.5-113.5°
- 沸点
- 311.75 °C · 311.75°C (rough estimate)
- 比重(密度)
- 1.1305 · 1.1305 (rough estimate)
- 屈折率
- 1.51 · 1.5100 (estimate)
- 貯蔵温度
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- 溶解性
- DMSO（微量）、メタノール（微量）
- 酸解離定数(Pka)
- 11.28 · 11.28±0.23(Predicted)
- 外見
- 個体
- 色
- ペールベージュ
- CAS データベース
- 54 · 54-92-2
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
危険有害性情報
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Iproniazid
vMost-DILI-concern
8
Withdrawn
DOI:10.1016/j.drudis.2016.02.015
安全データ
- 毒性
- An isopropyl derivative of isoniazid that was found to have mood-elevating effects in tuberculosis patients. It was later found to be a monoamine oxidase (MAO) inhibitor and, although not currently approved for clinical use as an antidepressant due to its propensity to cause liver damage it led to the development of other MAO inhibitors currently in use. In addition to hepatotoxic effects, iproniazid is a hypotensive agent and can cause potentially hazardous reactions with other drugs and amine-rich foods.
- hs_code
- 2933399990
化学と産業
薬理情報
ATC Code
N - Nervous system
QN - Nervous system
PharmacodynamicsIproniazid is a monoamine oxidase inhibitor (MAOI) that was developed as the first anti-depressant.
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)
用途と製造
Use ClassificationPharmaceuticals
応用分野
使用Iproniazid is a hydrazine based drug used as an antidepressant. Iproniazid acts as an irreversible and nonselective monoamine oxidase inhibitor.
調製方法
純化方法Crystallise it from *benzene or *benzene /pet ether and dry it in a vacuum. It is soluble in H2O and EtOH. [Fox & Gibas J Org Chem 18 994 1953.] The dihydrochloride has m 227-228o (from EtOH). [Beilstein 22 III/IV 551.] It is an antidepressant.
上流・下流製品情報
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