U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C30H22Cl2N4O2
Molecular Weight 541.427
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-BIS(2-CHLORODIBENZO(B,F)(1,4)OXAZEPINE-11-YL)PIPERAZINE

SMILES

ClC1=CC2=C(OC3=C(C=CC=C3)N=C2N4CCN(CC4)C5=NC6=CC=CC=C6OC7=CC=C(Cl)C=C57)C=C1

InChI

InChIKey=WCYJIJQSIRWGPW-UHFFFAOYSA-N
InChI=1S/C30H22Cl2N4O2/c31-19-9-11-25-21(17-19)29(33-23-5-1-3-7-27(23)37-25)35-13-15-36(16-14-35)30-22-18-20(32)10-12-26(22)38-28-8-4-2-6-24(28)34-30/h1-12,17-18H,13-16H2

HIDE SMILES / InChI

Molecular Formula C30H22Cl2N4O2
Molecular Weight 541.427
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 11:09:21 UTC 2023
Edited
by admin
on Sat Dec 16 11:09:21 UTC 2023
Record UNII
S21Y22XI1D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,4-BIS(2-CHLORODIBENZO(B,F)(1,4)OXAZEPINE-11-YL)PIPERAZINE
Systematic Name English
AMOXAPINE DIMER [USP IMPURITY]
Common Name English
AMOXAPINE DIMER
Common Name English
Code System Code Type Description
PUBCHEM
57369315
Created by admin on Sat Dec 16 11:09:21 UTC 2023 , Edited by admin on Sat Dec 16 11:09:21 UTC 2023
PRIMARY
FDA UNII
S21Y22XI1D
Created by admin on Sat Dec 16 11:09:21 UTC 2023 , Edited by admin on Sat Dec 16 11:09:21 UTC 2023
PRIMARY
EPA CompTox
DTXSID10724523
Created by admin on Sat Dec 16 11:09:21 UTC 2023 , Edited by admin on Sat Dec 16 11:09:21 UTC 2023
PRIMARY
CAS
1216608-66-0
Created by admin on Sat Dec 16 11:09:21 UTC 2023 , Edited by admin on Sat Dec 16 11:09:21 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP