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Details

Stereochemistry ACHIRAL
Molecular Formula C14H8BrClN4S
Molecular Weight 379.662
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Bromo-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

SMILES

ClC1=C(C=CC=C1)C2=NCC3=NN=CN3C4=C2C=C(Br)S4

InChI

InChIKey=JTELAICMLYYCCL-UHFFFAOYSA-N
InChI=1S/C14H8BrClN4S/c15-11-5-9-13(8-3-1-2-4-10(8)16)17-6-12-19-18-7-20(12)14(9)21-11/h1-5,7H,6H2

HIDE SMILES / InChI

Molecular Formula C14H8BrClN4S
Molecular Weight 379.662
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:31:15 GMT 2023
Edited
by admin
on Sat Dec 16 19:31:15 GMT 2023
Record UNII
H5CJA5KQ5B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Bromo-4-(2-chlorophenyl)-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine
Systematic Name English
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine, 2-bromo-4-(2-chlorophenyl)-
Common Name English
Desmethylbrotizolam
Common Name English
4-Bromo-7-(2-chlorophenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
Systematic Name English
WE-956
Code English
Brotizolam Impurity B [EP Impurity]
Common Name English
Code System Code Type Description
PUBCHEM
171613
Created by admin on Sat Dec 16 19:31:15 GMT 2023 , Edited by admin on Sat Dec 16 19:31:15 GMT 2023
PRIMARY
CAS
57801-97-5
Created by admin on Sat Dec 16 19:31:15 GMT 2023 , Edited by admin on Sat Dec 16 19:31:15 GMT 2023
PRIMARY
FDA UNII
H5CJA5KQ5B
Created by admin on Sat Dec 16 19:31:15 GMT 2023 , Edited by admin on Sat Dec 16 19:31:15 GMT 2023
PRIMARY
EPA CompTox
DTXSID40206504
Created by admin on Sat Dec 16 19:31:15 GMT 2023 , Edited by admin on Sat Dec 16 19:31:15 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY