(+-)-Tetramisole (HCID 3913)

概要

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.

名称と識別子

優先名称: (+-)-Tetramisole
IUPAC: 6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
現地名: テトラミソール
英語名: tetramisole
分子式: C11H12N2S
分子量: 204.29

名称と別名

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

名称をさらに表示

テトラミソールテトラミゾールrac-(6R*)-2,3,5,6-テトラヒドロ-6-フェニルイミダゾ[2,1-b]チアゾール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

データベース識別子

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

物性

構造計算による物性

XLogP: 1.8
極性表面積: 40.9 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 1
重原子数: 14
形式電荷: 0
複雑度: 246

実験および物理化学的性質

LogP1.84

Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan

Collision Cross Section · 2 件

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]

物理化学的性質

融点: 87 · 87-89°
沸点: 344.4 · 344.4±45.0 °C(Predicted)
比重(密度): 1.32 · 1.32±0.1 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
溶解性: DMSO;メタノール
外見: 個体
酸解離定数(Pka): 10 · 10.00±0.40(Predicted)
色: 白い粉）
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の化学物質情報: Tetramisole (5036-02-2)

安全と法規制

GHS分類

GHS Classification · 6 件

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]

危険有害性情報

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 件

Skin Sens. 1 (100%)

Acute toxicity (Oral) - Category 4

安全データ

tsca: TSCA listed

化学と産業

薬理情報

ATC CodeQP - Antiparasitic products, insecticides and repellents

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

用途と製造

Use Classification · 2 件

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

応用分野

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

上流・下流製品情報

上流原料

2-アミノチアゾリン塩酸塩 (1,2-ジブロモエチル)ベンゼン

下流製品

テトラミソール塩酸塩

サプライヤー15 社

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]

ARCTIC EXPORTS INC+1-3026880818 · [email protected]

河北茹麒科技有限公司176-03256889 17603256889 · [email protected]

PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]

テトラミソール

基本情報

概要