1-Methyl-1,2,3,4-tetrahydroisoquinoline
Grundinformationen
- CAS
4965-09-7- Standard-SMILES
CC1NCCc2ccccc21- InChIKey
QPILYVQSKNWRDD-UHFFFAOYSA-N- Summenformel
- C10H13N
- Durchschnittliche Molmasse
- 147,22 g/mol
- Monoisotopische Masse
- 147,10479942
Überblick
1-methyl-1,2,3,4-tetrahydroisoquinoline is a member of isoquinolines.
Namen und Bezeichner
- Bevorzugter Name
- 1-Methyl-1,2,3,4-tetrahydroisoquinoline
- IUPAC
- 1-methyl-1,2,3,4-tetrahydroisoquinoline
- Englischer Name
- 1-methyl-1,2,3,4-tetrahydroisoquinoline
- Summenformel
- C10H13N
- Molmasse
- 147.22
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
4965-09-7- PubChem CID
- 92214
- DTXSID
DTXSID70897161- ChEMBL
CHEMBL95456- ChEBI
CHEBI:125372- UNII
- B8PA6UPV68
- EC Number
- 803-804-7
- Nikkaji
- J103.205D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 12 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 1
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 133
Physikochemische Eigenschaften
- Siedepunkt
- 119 ℃/18mm · 119℃/18mm
- Dichte
- 0.966 · 0.966±0.06 g/cm3(Predicted)
- Brechungsindex
- 1.557 to · 1.5570 to 1.5610
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- Aggregatzustand
- Liquid
- pka
- 9.73 · 9.73±0.40(Predicted)
- Farbe
- Pale yellow
- Wasserlöslichkeit
- Slightly soluble in water.
- CAS Datenbank
- 4965 · 4965-09-7
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Sicherheitsdaten
- hs_code
- 2933499090
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME.
Anwendungen
Verwenden1-Methyl-1,2,3,4-tetrahydroisoquinoline (1MeTIQ) is an endogenous antidepressant and parkinsonism-preventing substance that demonstrates neuroprotectiveactivity. Following systemic administration in rats, 1-Methyl-1,2,3,4-tetrahydroisoquinoline produces antidepressant-like effect similar to the effect of imipramine. 1MeTIQ is a reversible short-acting moderate inhibitor of MAO A/B. Also known as 1,2,3,4-Tetrahydro-1-methylisoquinoline, 1MeTIQ. It is an important raw material and intermediate for revaprazan and pharmaceutical.
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