Tetramisol

(+-)-Tetramisole

HCID 3913CAS 5036-02-2

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Grundinformationen

Standard-SMILES: c1ccc(C2CN3CCSC3=N2)cc1
InChIKey: HLFSDGLLUJUHTE-UHFFFAOYSA-N
Summenformel: C11H12N2S
Durchschnittliche Molmasse: 204,29 g/mol
Monoisotopische Masse: 204,07211938

Überblick

6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole is an imidazothiazole that is imidazo[2,1-b][1,3]thiazole in which the double bonds at the 2-3 and 5-6 positions have been reduced to single bonds and in which one of the hydrogens at position 6 is replaced by a phenyl group. It has a role as a xenobiotic and an environmental contaminant.

Namen und Bezeichner

Bevorzugter Name: (+-)-Tetramisole
IUPAC: 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
Lokaler Name: Tetramisol
Englischer Name: tetramisole
Summenformel: C11H12N2S
Molmasse: 204.29

Namen und Synonyme

TETRAMISOLE5036-02-2tetramizoleTetramisolAscavermTetramisoloTetramisolumdl-TetramisoleNilverm baseC8M7RFE4NO(+-)-TetramisoleDTXSID20860143

Weitere Namen anzeigen

6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazoleImidazo2,1-bthiazole, 2,3,5,6-tetrahydro-6-phenyl-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole

NSC-102063Imidazo[2,1-b]thiazole, 2,3,5,6-tetrahydro-6-phenyl-R-8299Imidazo(2,1-b)thiazole, 2,3,5,6-tetrahydro-6-phenyl-(+-)-2,3,5,6-Tetrahydro-6-phenylimidazo(2,1-b)thiazoleImidazo(2,1-b)thiazole, 2,3,5,6-tetrahydro-6-phenyl-, (+-)-Levamisole DL-RefChem:905519

Datenbank-Bezeichner

CAS: 5036-02-2
PubChem CID: 3913
DTXSID: DTXSID20860143
ChEMBL: CHEMBL277775
ChEBI: CHEBI:77278
UNII: C8M7RFE4NO
EC Number: 225-729-3
Nikkaji: J25.630G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 40,9 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 246

Experimentelle und physikochemische Eigenschaften

LogP1.84

Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan

Collision Cross Section · 2 Einträge

144 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

142.11 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Physikochemische Eigenschaften

Schmelzpunkt: 87 · 87-89°
Siedepunkt: 344.4 · 344.4±45.0 °C(Predicted)
Dichte: 1.32 · 1.32±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
Löslichkeit: DMSO; Methanol
Aggregatzustand: Solid
pka: 10 · 10.00±0.40(Predicted)
Farbe: White (powder)
InChI: InChI=1S/C11H12N2S/c1-2-4-9(5-3-1)10-8-13-6-7-14-11(13)12-10/h1-5,10H,6-8H2
InChIKey: HLFSDGLLUJUHTE-UHFFFAOYSA-N
SMILES: S1CCN2CC(C3=CC=CC=C3)N=C12
EPA chemische Informationen: Tetramisole (5036-02-2)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

Gefahrenhinweise

Regulatory InformationTetramisole: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - Imidazo[2,1-b]thiazole, 2,3,5,6-tetrahydro-6-phenyl-: Human health tier I assessment

Hazard Classes and Categories · 2 Einträge

Skin Sens. 1 (100%)

Acute toxicity (Oral) - Category 4

Sicherheitsdaten

tsca: TSCA listed

Chemie und Industrie

Pharmakologische Informationen

ATC CodeQP - Antiparasitic products, insecticides and repellents

Mechanism of ActionTetramisole causes a rapid and sustained muscle paralysis in parasitic worms.

Verwendung und Herstellung

Use Classification · 2 Einträge

Veterinary Drug -> ANTHELMINTHIC_AGENT -> JECFA Functional Classes

Pharmaceuticals -> Animal Drugs -> Approved in Taiwan

General Manufacturing InformationImidazo[2,1-b]thiazole, 2,3,5,6-tetrahydro-6-phenyl-: INACTIVE

Anwendungen

VerwendenTetramisol is an isolated intermediate in the synthesis of 4-Hydroxy-tetramisole (H595270), a metabolite of Tetramisole, an anthelmintic.