基本情報
- 標準SMILES
CNCCCN1c2ccccc2CCc2ccccc21.Cl- InChIKey
XAEWZDYWZHIUCT-UHFFFAOYSA-N- 分子式
- C18H23ClN2
- 平均分子量
- 302.8 g/mol
- 単同位体質量
- 302.15497642
概要
Desipramine Hydrochloride is the hydrochloride salt form of desipramine, a secondary amine tricyclic antidepressant (TCA). In the central nervous system (CNS), desipramine hydrochloride blocks the re-uptake of neurotransmitters, including norepinephrine and serotonin. This leads to an increase in the amount of these neurotransmitters in the synaptic cleft and prolongs their activities postsynaptically.
名称と識別子
- 優先名称
- Desipramine Hydrochloride
- IUPAC
- 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine;hydrochloride
名称と別名
Desipramine hydrochloride58-28-6Desipramine HclDMI hydrochlorideRMI 9,384ADesmethylimipramine chlorideDesimipramine, hydrochlorideNSC-114901Desipramine monohydrochlorideEX 4355Demethylimipramine hydrochlorideImipraminedemethyl hydrochloride
名称をさらに表示
G-35020Desmethylimipramine hydrochlorideJB-8181Desmethylimipramine monohydrochlorideDTXSID90469421Y58DO4MY1RMI-9384AEX-4355
データベース識別子
- CAS
58-28-6- PubChem CID
- 65327
- DTXSID
DTXSID9046942- ChEMBL
CHEMBL1696- UNII
- 1Y58DO4MY1
- EC Number
- 200-373-1
物性
構造計算による物性
- 極性表面積
- 15.3 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 4
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 267
実験および物理化学的性質
Solubility>45.4 [ug/mL] (The mean of the results at pH 7.4)
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Collision Cross Section162.1 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
安全と法規制
GHS分類
GHS Classification
Danger
H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Status: Active Update: 07-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21340
5H-Dibenzb,fazepine-5-propanamine, 10,11-dihydro-N-methyl-, monohydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N-methyl-, monohydrochloride: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (97.9%)
毒性情報
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Desipramine hydrochloride
Ambiguous-DILI-concern
3
Adverse reactions
DOI:10.1016/j.drudis.2016.02.015
化学と産業
薬理情報
FDA Pharmacological Classification
DESIPRAMINE HCL
Tricyclic Antidepressant [EPC]
DESIPRAMINE HYDROCHLORIDE
Tricyclic Antidepressant [EPC]
MeSH Pharmacological Classification
Substances that contain a fused three-ring moiety and are used in the treatment of depression. These drugs block the uptake of norepinephrine and serotonin into axon terminals and may block some subtypes of serotonin, adrenergic, and histamine receptors. However, the mechanism of their antidepressant effects is not clear because the therapeutic effects usually take weeks to develop and may reflect compensatory changes in the central nervous system.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Drugs that block the transport of adrenergic transmitters into axon terminals or into storage vesicles within terminals. The tricyclic antidepressants (ANTIDEPRESSIVE AGENTS, TRICYCLIC) and amphetamines are among the therapeutically important drugs that may act via inhibition of adrenergic transport. Many of these drugs also block transport of serotonin.
関連反応
16 件
関連ノート
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