1-Benzyl-1,2,3,4-Tetrahydroisoquinoline

HCID 98468CAS 19716-56-4

Grundinformationen

Standard-SMILES
c1ccc(CC2NCCc3ccccc32)cc1
InChIKey
YRYCIFUZSUMAAY-UHFFFAOYSA-N
Summenformel
C16H17N
Durchschnittliche Molmasse
223,31 g/mol
Monoisotopische Masse
223,13609954

Überblick

(RS)-1-benzyl-1,2,3,4-tetrahydroisoquinoline is a benzyltetrahydroisoquinoline. It is a conjugate base of a 1-benzyl-1,2,3,4-tetrahydroisoquinolin-2-ium.

Namen und Bezeichner

Bevorzugter Name
1-Benzyl-1,2,3,4-Tetrahydroisoquinoline
IUPAC
1-benzyl-1,2,3,4-tetrahydroisoquinoline
Englischer Name
1-Benzyl-1,2,3,4-tetrahydroisoquinoline
Summenformel
C16H17N
Molmasse
223.31

Namen und Synonyme

1-Benzyl-1,2,3,4-tetrahydroisoquinoline19716-56-41BnTIQS49 Isoquinoline1,2,3,4-Tetrahydro-1-(phenylmethyl)isoquinolineX4S06GK4KNIsoquinoline, 1,2,3,4-tetrahydro-1-(phenylmethyl)-NSC-140739J432.285ADTXSID70864898AR-R 15209RefChem:907504
Weitere Namen anzeigen
DTXCID108133651-benzyl-1,2,3,4-tetrahydro-isoquinoline(R,S)-Tetrahydrobenzylisoquinoline(RS)-1-Benzyl-1,2,3,4-tetrahydroisoquinolineCHEMBL21640MFCD00024130Isoquinoline, 1-benzyl-1,2,3,4-tetrahydro-,rac-(1R)-1-benzyl-1,2,3,4-tetrahydroisoquinoline

Datenbank-Bezeichner

CAS
19716-56-4
PubChem CID
98468
DTXSID
DTXSID70864898
ChEMBL
CHEMBL21640
ChEBI
CHEBI:16804
UNII
X4S06GK4KN
Nikkaji
J432.285A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3,3
Polarare Oberfläche (TPSA)
12 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
2
Schwere Atome
17

Experimentelle und physikochemische Eigenschaften

Physical DescriptionSolid

Physikochemische Eigenschaften

Siedepunkt
120 °C · 120 °C(Press: 0.005 Torr)
Dichte
1.06 · 1.060±0.06 g/cm3(Predicted)
pka
9.66 · 9.66±0.40(Predicted)

Sicherheit und Regulatorisches

Sicherheitsdaten

hs_code
2933499090
hazard_class
IRRITANT

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

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.

Cellular LocationsMembrane

Anbieter16 Anbieter

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