ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /化合物

4-Hydroxybutanoate

HCID 3037032
ノートを作成反応を作成見積依頼を出す
印刷プレビュー
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
1320-61-2
標準SMILES
O=C([O-])CCCO
InChIKey
SJZRECIVHVDYJC-UHFFFAOYSA-M
分子式
C4H7O3-
平均分子量
103.1 g/mol
単同位体質量
103.03951908

概要

4-hydroxybutyrate is a 4-hydroxy monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of 4-hydroxybutyric acid. It has a role as an intravenous anaesthetic and an anaesthesia adjuvant. It is a 4-hydroxy monocarboxylic acid anion, a short-chain fatty acid anion and a hydroxy fatty acid anion. It is functionally related to a butyrate. It is a conjugate base of a 4-hydroxybutyric acid.

名称と識別子

優先名称
4-Hydroxybutanoate
IUPAC
4-hydroxybutanoate

名称と別名

4-Hydroxybutanoate4-hydroxybutyrateHydroxybutyrateg-hydroxybutyric acid1320-61-2CHEBI:16724DTXSID10157296Butyric acid, hydroxy-, ion(1-)Butanoic acid, hydroxy-, ion(1-)RefChem:524018Butyric acid, hydroxy, ion(1)DTXCID3079787
名称をさらに表示
Butanoic acid, hydroxy, ion(1)691-053-4Gamma Hydroxy butyrate4-HBSJZRECIVHVDYJC-UHFFFAOYSA-MAKOS024437936PD009490AB01563260_01

データベース識別子

CAS
1320-61-2、591-81-1
PubChem CID
3037032
DTXSID
DTXSID10157296
ChEBI
CHEBI:16724
EC Number
691-053-4

物性

構造計算による物性

XLogP
0
極性表面積
60.4 Ų
水素結合供与体数
1
水素結合受容体数
3
回転可能結合数
2
重原子数
7
形式電荷
-1
複雑度
54.4

実験および物理化学的性質

Chemical ClassesOther Classes -> Organic Acids
DrugsDEA Schedule I Controlled Substance -> Depressants

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 · 3 件

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

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

Regulatory InformationDEA schedule I controlled substance
Hazards SummarySee Butyric acid.
Hazard Classes and CategoriesNot Classified

毒性情報

Health EffectsChronically high levels of 4-hydroxybutyric acid are associated with the inborn errors of metabolism called: 4-Hydroxybutyric Aciduria/Succinic Semialdehyde Dehydrogenase Deficiency.
Toxicity Summary · 1 件

GHB reaches much higher concentrations in the brain and activates GABAB receptors, which are primarily responsible for its sedative effects. GHB receptors are densely expressed in many areas of the brain, including the cortex and hippocampus, and these are the receptors that GHB displays the highest affinity for. There has been somewhat limited research into the GHB receptor; however, there is evidence that activation of the GHB receptor in some brain areas results in the release of glutamate, the principal excitatory neurotransmitter. Activation of both the GHB receptor and GABA(B) is responsible for the addictive profile of GHB. GHB's effect on dopamine release is biphasic,[19] low concentrations stimulate dopamine release via the GHB receptor.[20] Higher concentrations inhibit dopamine release via GABA(B) receptors as do other GABA(B) agonists such as baclofen and phenibut.[21] After an initial phase of inhibition, dopamine release is then increased via the GHB receptor. This explains the paradoxical mix of sedative and stimulatory properties of GHB, as well as the so-called "rebound" effect, experienced by individuals using GHB as a sleeping agent, wherein they awake suddenly after several hours of GHB-induced deep sleep. That is to say that, over time, the concentration of GHB in the system decreases below the threshold for significant GABAB receptor activation and activates predominantly the GHB receptor, leading to wakefulness.

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

Route of Elimination: Animal studies indicate that metabolism is the major elimination pathway for sodium oxybate, producing carbon dioxide and water via the tricarboxylic acid (Krebs) cycle and secondarily by beta-oxidation. Succinic acid enters the Krebs cycle where it is metabolized to carbon dioxide and water. Fecal and renal excretion is negligible. 5% renal elimination. Half Life: 30 to 60 minutes

用途と製造

UsesUsed as a general anesthetic, to treat conditions such as insomnia, clinical depression, narcolepsy, and alcoholism, and to improve athletic performance.

関連反応

7 件
反応記録を作成
HRID 389838 の反応式
HRID 389838反応物としてuspto-grants-2013_02
HRID 389839 の反応式
HRID 389839反応物としてuspto-grants-2013_02
HRID 389840 の反応式
HRID 389840反応物としてuspto-grants-2013_02
HRID 1148632 の反応式
HRID 1148632反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1238989 の反応式
HRID 1238989反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2158239 の反応式
HRID 2158239反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID 2321533 の反応式
HRID 2321533反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
その他の操作
ノートを作成反応を作成見積依頼を出す
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).