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Details

Stereochemistry ACHIRAL
Molecular Formula C15H17ClN2O
Molecular Weight 276.761
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2H-1,4-BENZODIAZEPIN-2-ONE, 7-CHLORO-5-CYCLOHEXYL-1,3-DIHYDRO-

SMILES

ClC1=CC=C2NC(=O)CN=C(C3CCCCC3)C2=C1

InChI

InChIKey=PSLXVIRZPPLZRY-UHFFFAOYSA-N
InChI=1S/C15H17ClN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h6-8,10H,1-5,9H2,(H,18,19)

HIDE SMILES / InChI

Molecular Formula C15H17ClN2O
Molecular Weight 276.761
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 15:08:02 UTC 2023
Edited
by admin
on Sat Dec 16 15:08:02 UTC 2023
Record UNII
CLN9M1L4HM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2H-1,4-BENZODIAZEPIN-2-ONE, 7-CHLORO-5-CYCLOHEXYL-1,3-DIHYDRO-
Systematic Name English
TETRAZEPAM IMPURITY B [EP IMPURITY]
Common Name English
7-CHLORO-5-CYCLOHEXYL-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40939128
Created by admin on Sat Dec 16 15:08:02 UTC 2023 , Edited by admin on Sat Dec 16 15:08:02 UTC 2023
PRIMARY
CAS
1789-33-9
Created by admin on Sat Dec 16 15:08:02 UTC 2023 , Edited by admin on Sat Dec 16 15:08:02 UTC 2023
PRIMARY
PUBCHEM
135760552
Created by admin on Sat Dec 16 15:08:02 UTC 2023 , Edited by admin on Sat Dec 16 15:08:02 UTC 2023
PRIMARY
ECHA (EC/EINECS)
217-254-5
Created by admin on Sat Dec 16 15:08:02 UTC 2023 , Edited by admin on Sat Dec 16 15:08:02 UTC 2023
PRIMARY
FDA UNII
CLN9M1L4HM
Created by admin on Sat Dec 16 15:08:02 UTC 2023 , Edited by admin on Sat Dec 16 15:08:02 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP