Related Searches: Oxazole,2-(4-chlorophenyl), 2-Propenoicacid, 3-(4-chlorophenyl)-, ethyl 2 Methyl acetoacetate, (1,2,4)Triazolo(1,5-a)pyrimidine, 2H-Pyrrol-2-one,3-ethyl-1,5-dihydro-4-methyl-, View all
Directory
1. Identification and Related Records
【Name】
【Registry number】
【Synonyms】
【Molecular Formula】
【MOL File】
【Molecular Weight】
【Inchi】
【InChIKey】
【Canonical SMILES】
2. Chemical and Physical Properties
【Density】
【Melting Point】
【Boiling Point】
【Refractive Index】
【Flash Point】
【Computed Properties】
3. Safety and Handling
【Safety】
4. Biomedical Effects and Toxicity
【Pharmacological Action】
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine,4-(2-chlorophenyl)-2-ethyl-9-methyl- C17H15ClN4S (cas 40054-69-1) Molecular Structure

40054-69-1 Structure

Identification and Related Records

【Name】
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine,4-(2-chlorophenyl)-2-ethyl-9-methyl-
【CAS Registry number】
40054-69-1
【Synonyms】
AHR 3219
Depas
Etizolam
Y 7131
Etizolam
Sedekopan
4-(2-Chlorophenyl)-2-ethyl-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

【Molecular Formula】
C17H15ClN4S (Products with the same molecular formula)
【Molecular Weight】
342.87
【Inchi】
InChI=1/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3
【InChIKey】
VMZUTJCNQWMAGF-UHFFFAOYSA-N
【Canonical SMILES】
CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4Cl)C
【MOL File】
40054-69-1.mol

Chemical and Physical Properties

【Density】
1.43g/cm3
【Melting Point】
147-148 °C
【Boiling Point】
545.3°Cat760mmHg
【Refractive Index】
1.733
【Flash Point】
283.6°C
【Computed Properties】
Molecular Weight:342.8458 [g/mol]
Molecular Formula:C17H15ClN4S
XLogP3:2.6
H-Bond Donor:0
H-Bond Acceptor:2
Rotatable Bond Count:2
Exact Mass:342.070595
MonoIsotopic Mass:342.070595
Topological Polar Surface Area:71.3
Heavy Atom Count:23
Formal Charge:0
Complexity:474
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Cation Count:2
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:4
Effective Rotor Count:2.2
Conformer Sampling RMSD:0.6
CID Conformer Count:7

Safety and Handling

【Safety】
Moderately toxic by ingestion and intraperitoneal routes. Experimental teratogenic and reproductive effects. When heated to decomposition it emits toxic fumes of Cl−, SOx, and NOx.

Biomedical Effects and Toxicity

【Pharmacological Action】
- A traditional grouping of drugs said to have a soothing or calming effect on mood, thought, or behavior. Included here are the ANTI-ANXIETY AGENTS (minor tranquilizers), ANTIMANIC AGENTS, and the ANTIPSYCHOTIC AGENTS (major tranquilizers). These drugs act by different mechanisms and are used for different therapeutic purposes.

Supplier Location

Top Suppliers

Diamond member Hubei XinRunde Chemical Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-188-74586545
Diamond member chengdu yancey import& export trade co.,ltd
Country:ChinaChina
Business Type:Trading Company
Telephone:86-153-73023168
Diamond member Hebei kaiyou biological technology co., LTD
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-85526367
Diamond member mokesi technology co.,ltd
Country:ChinaChina
Business Type:Manufacturer
Telephone:0086-1351371-000000
Diamond member FORT ST BIOLOGICAL TECHNOLOGY LIMITED
Country:ChinaChina
Business Type:Trading Company
Telephone:86-311-13263231263
Diamond member Hangzhou Dayangchem Co., Ltd.
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-571-88938639
Diamond member Shijiazhuang Jubite Fine-Chemical Material Company Limited
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-311-80563275
Diamond member Wuhan H.X.K Fine Chemicals Co.,LTD
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-27-59721024
Diamond member Qingdao happy biological technology co., LTD
Country:ChinaChina
Business Type:Manufacturer
Telephone:86-310-7123336
Diamond member Hebei LuXi Bio-Technology Co.,Ltd
Country:ChinaChina
Business Type:Trading Company
Telephone:0086-319-3157755

Quick Search

Cas    Name

Related products

4-(2-Chlorophenyl)-2-ethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-9-Methanol

4-(2-Chlorophenyl)-2-ethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-9-Methanol;9-Hydroxy EtizolaM

6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-propanamide,4-(2-chlorophenyl)-9-methyl-N-(1-methylethyl)-

AC1MI88Y;LS-152581;105219-63-4;6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-propanamide, 4-(2-chlorophenyl)-9-methyl-N-(1-methylethyl)-

6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine,2-bromo-4-(2-chlorophenyl)-9-methyl-

Brotizolam;Lendorm; Lendormin; Mederantil; Sintonal; WE 941; WE 941BS

6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-carboxamide,4-(2-chlorophenyl)-9-methyl-

AC1MI89P;6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-carboxamide, 4-(2-chlorophenyl)-9-methyl-;LS-152576;105241-79-0

6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-acetamide,4-(2-chlorophenyl)-9-methyl-

4-(2-Chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-acetamide;6H-Thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine-2-ac...

2-chloro-4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

BRN 1088579;2-Chloro-4-(2-chlorophenyl)-9-methyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine;8-Chloro-6-(o-chlorophenyl)-1-methyl-4H-s-triazo...

6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-methanol,4-(2-chlorophenyl)-a,9-dimethyl-

6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-2-methanol,(2-chlorophenyl)-a,9-dimethyl-(9CI)