Nmda

HCID 22880CAS 6384-92-5

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Grundinformationen

Standard-SMILES: CN[C@H](CC(=O)O)C(=O)O
InChIKey: HOKKHZGPKSLGJE-GSVOUGTGSA-N
Summenformel: C5H9NO4
Durchschnittliche Molmasse: 147,13 g/mol
Monoisotopische Masse: 147,05315777

Überblick

N-methyl-D-aspartic acid is an aspartic acid derivative having an N-methyl substituent and D-configuration. It has a role as a neurotransmitter agent. It is a D-alpha-amino acid, an amino dicarboxylic acid, a secondary amino compound and a D-aspartic acid derivative.

Namen und Bezeichner

Bevorzugter Name: Nmda
IUPAC: (2R)-2-(methylamino)butanedioic acid
Englischer Name: N-Methyl-D-aspartic acid
Summenformel: C5H9NO4
Molmasse: 147.13

Namen und Synonyme

N-methyl-D-aspartic acidNMDA6384-92-5D-Aspartic acid, N-methyl-(2R)-2-(methylamino)butanedioic acidMethyl aspartic acidN-Methyl aspartic acid2-Methylamino-succinic acidDTXSID8041082CHEBI:318821903B9Q6PIRefChem:1092483

Weitere Namen anzeigen

N-Me-D-AspH-D-MEASP-OHH-N-Me-D-Asp-OHH-D-MEASP-OH HCL-D-aspartic acidN-ME-D-ASP-OH HCL

DTXCID6021082N-Methyl-D-aspartateN-Methylaspartate(R)-2-(Methylamino)succinic acidn-methyl-d-aspartic acid (nmda)N-Me-D-Asp-OHN methyl D aspartate(R)-2-Ethylbutannedioic acid

Datenbank-Bezeichner

CAS: 6384-92-5
PubChem CID: 22880
DTXSID: DTXSID8041082
ChEMBL: CHEMBL291278
ChEBI: CHEBI:31882
UNII: 1903B9Q6PI
Nikkaji: J246.192G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -3,4
Polarare Oberfläche (TPSA): 86,6 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 10
Formalladung: 0
Komplexität: 145

Experimentelle und physikochemische Eigenschaften

CosmeticsSkin conditioning; Antistatic; Hair conditioning

Solubility>22.1 [ug/mL] (The mean of the results at pH 7.4)

Melting Point187 - 192 °C

Physical DescriptionSolid

Collision Cross Section · 2 Einträge

130 Å² [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

134.8 Å² [M+Na]+

Physikochemische Eigenschaften

Schmelzpunkt: 187 · 187-192 °C
Siedepunkt: 267.21 °C · 267.21°C (rough estimate)
Dichte: 1.4285 · 1.4285 (rough estimate)
Brechungsindex: -15 ° · -15 ° (C=2, H2O)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Aqueous Acid (Slightly), DMSO (Slightly), Water (Slightly)
Aggregatzustand: solid
pka: 2.21 · 2.21±0.23(Predicted)
Farbe: white
Wasserlöslichkeit: slightly soluble
Merck: 14 · 14,6662
BRN: 1724431 · 1724431
Major Application: cell analysis
Kosmetik-Inhaltsstoffe Funktionen: HAIR CONDITIONINGANTISTATICSKIN CONDITIONING
InChI: 1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1
InChIKey: HOKKHZGPKSLGJE-GSVOUGTGSA-N
SMILES: CN[C@H](CC(O)=O)C(O)=O
LogP: 1.39 · 1.390 (est)
CAS Datenbank: 6384 · 6384-92-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

Sicherheitsdaten

F: 10
wgk: 3
hs_code: 29225090
RTECS-Nr.: CI9457000
safety_code: 22-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Pharmakologische Informationen

Tissue LocationsBrain

Cellular LocationsCytoplasm

Verwendung und Herstellung

Use ClassificationCosmetics -> Skin conditioning; Antistatic; Hair conditioning

Anwendungen

VerwendenNMDA(N-Methyl-D-aspartic acid)is a specific agonist for NMDA receptor mimicking the action of glutamate, the neurotransmitter which normally acts at that receptor.