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Details

Stereochemistry ACHIRAL
Molecular Formula C16H11Cl2N3O
Molecular Weight 332.184
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (5-CHLORO-2-(3-(CHLOROMETHYL)-4H-1,2,4-TRIAZOL-4-YL)PHENYL) PHENYL KETONE

SMILES

ClCC1=NN=CN1C2=C(C=C(Cl)C=C2)C(=O)C3=CC=CC=C3

InChI

InChIKey=KBWXJZXYNPXORC-UHFFFAOYSA-N
InChI=1S/C16H11Cl2N3O/c17-9-15-20-19-10-21(15)14-7-6-12(18)8-13(14)16(22)11-4-2-1-3-5-11/h1-8,10H,9H2

HIDE SMILES / InChI

Molecular Formula C16H11Cl2N3O
Molecular Weight 332.184
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 Fri Jul 07 00:08:00 UTC 2023
Edited
by admin
on Fri Jul 07 00:08:00 UTC 2023
Record UNII
4T5QEZ5XFM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(5-CHLORO-2-(3-(CHLOROMETHYL)-4H-1,2,4-TRIAZOL-4-YL)PHENYL) PHENYL KETONE
Systematic Name English
ESTAZOLAM RELATED COMPOUND A [USP IMPURITY]
Common Name English
(5-CHLORO-2-(3-(CHLOROMETHYL)-4H-1,2,4-TRIAZOL-4-YL)PHENYL)PHENYLMETHANONE
Systematic Name English
METHANONE, (5-CHLORO-2-(3-(CHLOROMETHYL)-4H-1,2,4-TRIAZOL-4-YL)PHENYL)PHENYL-
Systematic Name English
5-CHLORO-2-(3-CHLOROMETHYL-4H-1,2,4-TRIAZOL-4-YL)-BENZOPHENONE
Systematic Name English
ESTAZOLAM RELATED COMPOUND A [USP-RS]
Common Name English
Code System Code Type Description
FDA UNII
4T5QEZ5XFM
Created by admin on Fri Jul 07 00:08:00 UTC 2023 , Edited by admin on Fri Jul 07 00:08:00 UTC 2023
PRIMARY
PUBCHEM
11970484
Created by admin on Fri Jul 07 00:08:00 UTC 2023 , Edited by admin on Fri Jul 07 00:08:00 UTC 2023
PRIMARY
CAS
37945-06-5
Created by admin on Fri Jul 07 00:08:00 UTC 2023 , Edited by admin on Fri Jul 07 00:08:00 UTC 2023
PRIMARY
ECHA (EC/EINECS)
253-728-8
Created by admin on Fri Jul 07 00:08:00 UTC 2023 , Edited by admin on Fri Jul 07 00:08:00 UTC 2023
PRIMARY
RS_ITEM_NUM
1249916
Created by admin on Fri Jul 07 00:08:00 UTC 2023 , Edited by admin on Fri Jul 07 00:08:00 UTC 2023
PRIMARY
EPA CompTox
DTXSID60958952
Created by admin on Fri Jul 07 00:08:00 UTC 2023 , Edited by admin on Fri Jul 07 00:08:00 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
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