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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H21NO5
Molecular Weight 319.3523
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-(1,3-DIOXOLAN-2-YL)ETHYL)-1,3-DIHYDRO-7,8-DIMETHOXY-2H-3-BENZAZEPIN-2-ONE

SMILES

COC1=C(OC)C=C2C=CN(CCC3OCCO3)C(=O)CC2=C1

InChI

InChIKey=NPAQKATYYLLTKM-UHFFFAOYSA-N
InChI=1S/C17H21NO5/c1-20-14-9-12-3-5-18(6-4-17-22-7-8-23-17)16(19)11-13(12)10-15(14)21-2/h3,5,9-10,17H,4,6-8,11H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H21NO5
Molecular Weight 319.3523
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 18:35:57 GMT 2023
Edited
by admin
on Sat Dec 16 18:35:57 GMT 2023
Record UNII
JTV7WE7T5T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-(1,3-DIOXOLAN-2-YL)ETHYL)-1,3-DIHYDRO-7,8-DIMETHOXY-2H-3-BENZAZEPIN-2-ONE
Systematic Name English
2H-3-BENZAZEPIN-2-ONE, 3-(2-(1,3-DIOXOLAN-2-YL)ETHYL)-1,3-DIHYDRO-7,8-DIMETHOXY-
Systematic Name English
Code System Code Type Description
FDA UNII
JTV7WE7T5T
Created by admin on Sat Dec 16 18:35:57 GMT 2023 , Edited by admin on Sat Dec 16 18:35:57 GMT 2023
PRIMARY
PUBCHEM
11609425
Created by admin on Sat Dec 16 18:35:57 GMT 2023 , Edited by admin on Sat Dec 16 18:35:57 GMT 2023
PRIMARY
CAS
866462-52-4
Created by admin on Sat Dec 16 18:35:57 GMT 2023 , Edited by admin on Sat Dec 16 18:35:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID401019519
Created by admin on Sat Dec 16 18:35:57 GMT 2023 , Edited by admin on Sat Dec 16 18:35:57 GMT 2023
PRIMARY