4-Hydroxybutanoate

HCID 3037032CAS 1320-61-2

기본 정보

표준 SMILES
O=C([O-])CCCO
InChIKey
SJZRECIVHVDYJC-UHFFFAOYSA-M
분자식
C4H7O3-
평균 분자량
103.1 g/mol
단동위원소 질량
103.03951908

이름 및 식별자

우선 이름
4-Hydroxybutanoate
IUPAC
4-hydroxybutanoate

이름 및 동의어

4-Hydroxybutanoate4-hydroxybutyrateHydroxybutyrateg-hydroxybutyric acid1320-61-2CHEBI:16724DTXSID10157296Butyric acid, hydroxy-, ion(1-)Butanoic acid, hydroxy-, ion(1-)RefChem:524018Butyric acid, hydroxy, ion(1)DTXCID3079787
이름 더 보기
Butanoic acid, hydroxy, ion(1)691-053-4Gamma Hydroxy butyrate4-HBSJZRECIVHVDYJC-UHFFFAOYSA-MAKOS024437936PD009490AB01563260_01

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
0
극성 표면적
60.4 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
7

안전 및 규제

GHS 분류

GHS Classification · 3건

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

Not Classified;Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.;Reported as not meeting GHS hazard criteria per 2 of 2 reports by companies.;There are 0 notifications provided by 0 of 2 reports by companies with hazard statement code(s).;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.

유해성 정보

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

독성 정보

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 · 1건

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.

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

규제 정보

Regulatory InformationDEA schedule I controlled substance

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

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

용도 및 제조

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

관련 반응

7건

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