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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H25NO4
Molecular Weight 367.4382
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((3,4-DIETHOXYPHENYL)METHYL)-6,7-DIMETHOXYISOQUINOLINE

SMILES

CCOC1=CC=C(CC2=NC=CC3=CC(OC)=C(OC)C=C23)C=C1OCC

InChI

InChIKey=KIOSTJDQHPPGCK-UHFFFAOYSA-N
InChI=1S/C22H25NO4/c1-5-26-19-8-7-15(12-22(19)27-6-2)11-18-17-14-21(25-4)20(24-3)13-16(17)9-10-23-18/h7-10,12-14H,5-6,11H2,1-4H3

HIDE SMILES / InChI

Molecular Formula C22H25NO4
Molecular Weight 367.4382
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 Wed Apr 02 02:37:33 GMT 2025
Edited
by admin
on Wed Apr 02 02:37:33 GMT 2025
Record UNII
XXF0WTZ7HL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-((3,4-DIETHOXYPHENYL)METHYL)-6,7-DIMETHOXYISOQUINOLINE
Common Name English
ISOQUINOLINE, 1-((3,4-DIETHOXYPHENYL)METHYL)-6,7-DIMETHOXY-
Preferred Name English
Code System Code Type Description
CAS
102663-68-3
Created by admin on Wed Apr 02 02:37:33 GMT 2025 , Edited by admin on Wed Apr 02 02:37:33 GMT 2025
PRIMARY
PUBCHEM
139593412
Created by admin on Wed Apr 02 02:37:33 GMT 2025 , Edited by admin on Wed Apr 02 02:37:33 GMT 2025
PRIMARY
FDA UNII
XXF0WTZ7HL
Created by admin on Wed Apr 02 02:37:33 GMT 2025 , Edited by admin on Wed Apr 02 02:37:33 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT