Magnesium-2-propylvalerat

Magnesium Valproate

HCID 147515CAS 62959-43-7

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Grundinformationen

Standard-SMILES: CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].[Mg+2]
InChIKey: LKLLHOIUJVEAGU-UHFFFAOYSA-L
Summenformel: C16H30MgO4
Durchschnittliche Molmasse: 310,71 g/mol
Monoisotopische Masse: 310,1994511

Namen und Bezeichner

Bevorzugter Name: Magnesium Valproate
IUPAC: magnesium bis(2-propylpentanoate)
Lokaler Name: Magnesium-2-propylvalerat
Englischer Name: MAGNESIUM DIPROPYLACETATE HYDRATE
Summenformel: C16H30MgO4
Molmasse: 310.71

Namen und Synonyme

Magnesium valproate62959-43-7valproate magnesiumMagnesium dipropylacetateDIPROMALPentanoic acid, 2-propyl-, magnesium saltQ400352CM2DTXSID0041062RefChem:155285DTXCID8021062263-770-9MagnesiumValproate

Weitere Namen anzeigen

(Mg(II))(Valp)2Valproic Acid MagnesiumMAGNESIUM VALPROATE HYDRATEValproic acid, magnesium saltMAGNESIUM DIPROPYLACETATE HYDRATE

magnesium;2-propylpentanoatemagnesium 2-propylpentanoateMagnesium 2-propylvalerateEINECS 263-770-9UNII-Q400352CM2SCHEMBL69794orb3174687CHEMBL2315212

Datenbank-Bezeichner

CAS: 62959-43-7
PubChem CID: 147515
DTXSID: DTXSID0041062
ChEMBL: CHEMBL2315212
UNII: Q400352CM2
EC Number: 263-770-9
Nikkaji: J307.151K

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 80,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 8
Schwere Atome: 21
Formalladung: 0
Komplexität: 87

Physikochemische Eigenschaften

Schmelzpunkt: 294 °C · >294°C (dec.)
storage temp.: Refrigerator
Löslichkeit: Ethyl Acetate (Slightly), Methanol (Slightly), Water (Slightly)
Aggregatzustand: Solid
Farbe: White
InChI: InChI=1S/2C8H16O2.Mg/c2*1-3-5-7(6-4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKey: LKLLHOIUJVEAGU-UHFFFAOYSA-L
SMILES: C(CCC)(CCC)C(=O)O[Mg]OC(=O)C(CCC)CCC
CAS Datenbank: 62959 · 62959-43-7

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H360 (50%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

Gefahrenhinweise

Other Safety InformationIMAP assessments - Pentanoic acid, 2-propyl-, magnesium salt: Environment tier I assessment；IMAP assessments - Pentanoic acid, 2-propyl-, magnesium salt: Human health tier I assessment

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 4 Einträge

Drugs used to prevent SEIZURES or reduce their severity.

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Substances used for their pharmacological actions on GABAergic systems. GABAergic agents include agonists, antagonists, degradation or uptake inhibitors, depleters, precursors, and modulators of receptor function.

Agents that are used to treat bipolar disorders or mania associated with other affective disorders.