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Details

Stereochemistry ACHIRAL
Molecular Formula C13H8ClNO2
Molecular Weight 245.661
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLORODIBENZO(B,F)-1,4-OXAZEPIN-11-ONE

SMILES

ClC1=CC=C2OC3=CC=CC=C3NC(=O)C2=C1

InChI

InChIKey=ZAGINEPNYIZLLO-UHFFFAOYSA-N
InChI=1S/C13H8ClNO2/c14-8-5-6-11-9(7-8)13(16)15-10-3-1-2-4-12(10)17-11/h1-7H,(H,15,16)

HIDE SMILES / InChI
Molecular Formula C13H8ClNO2
Molecular Weight 245.661
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:10:50 GMT 2023
Edited
by admin
on Sat Dec 16 08:10:50 GMT 2023
Record UNII
XTG2E7M36O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CHLORODIBENZO(B,F)-1,4-OXAZEPIN-11-ONE
Systematic Name English
CHLORODIBENZOXAZEPINONE
Systematic Name English
AMOXAPINE RELATED COMPOUND D [USP-RS]
Common Name English
AMOXAPINE RELATED COMPOUND D [USP IMPURITY]
Common Name English
DIBENZ(B,F)(1,4)OXAZEPIN-11(10H)-ONE, 2-CHLORO-
Systematic Name English
LOXAPINE SUCCINATE IMPURITY, CHLORODIBENZOXAZEPINONE-[USP IMPURITY]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1031445
Created by admin on Sat Dec 16 08:10:50 GMT 2023 , Edited by admin on Sat Dec 16 08:10:50 GMT 2023
PRIMARY
PUBCHEM
13000266
Created by admin on Sat Dec 16 08:10:50 GMT 2023 , Edited by admin on Sat Dec 16 08:10:50 GMT 2023
PRIMARY
ECHA (EC/EINECS)
221-602-1
Created by admin on Sat Dec 16 08:10:50 GMT 2023 , Edited by admin on Sat Dec 16 08:10:50 GMT 2023
PRIMARY
FDA UNII
XTG2E7M36O
Created by admin on Sat Dec 16 08:10:50 GMT 2023 , Edited by admin on Sat Dec 16 08:10:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID4057714
Created by admin on Sat Dec 16 08:10:50 GMT 2023 , Edited by admin on Sat Dec 16 08:10:50 GMT 2023
PRIMARY
CAS
3158-91-6
Created by admin on Sat Dec 16 08:10:50 GMT 2023 , Edited by admin on Sat Dec 16 08:10:50 GMT 2023
PRIMARY
Related Record Type Details
Structure of AMOXAPINE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Structure of LOXAPINE SUCCINATE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
NCATS
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