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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H19N3O3.ClH
Molecular Weight 361.823
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4(1H,3H)-QUINAZOLINEDIONE, 3-(2-(((2-METHOXYPHENYL)METHYL)AMINO)ETHYL)-, HYDROCHLORIDE (1:1)

SMILES

Cl.COC1=CC=CC=C1CNCCN2C(=O)NC3=C(C=CC=C3)C2=O

InChI

InChIKey=UTWWAKASXDZDKR-UHFFFAOYSA-N
InChI=1S/C18H19N3O3.ClH/c1-24-16-9-5-2-6-13(16)12-19-10-11-21-17(22)14-7-3-4-8-15(14)20-18(21)23;/h2-9,19H,10-12H2,1H3,(H,20,23);1H

HIDE SMILES / InChI

Molecular Formula C18H19N3O3
Molecular Weight 325.3618
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
6.58 null [pEC50]
Substance Class Chemical
Created
by admin
on Wed Apr 02 10:47:41 GMT 2025
Edited
by admin
on Wed Apr 02 10:47:41 GMT 2025
Record UNII
SB55EJC972
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4(1H,3H)-QUINAZOLINEDIONE, 3-(2-(((2-METHOXYPHENYL)METHYL)AMINO)ETHYL)-, HYDROCHLORIDE (1:1)
Preferred Name English
Code System Code Type Description
CAS
1956369-26-8
Created by admin on Wed Apr 02 10:47:41 GMT 2025 , Edited by admin on Wed Apr 02 10:47:41 GMT 2025
PRIMARY
PUBCHEM
86346370
Created by admin on Wed Apr 02 10:47:41 GMT 2025 , Edited by admin on Wed Apr 02 10:47:41 GMT 2025
PRIMARY
FDA UNII
SB55EJC972
Created by admin on Wed Apr 02 10:47:41 GMT 2025 , Edited by admin on Wed Apr 02 10:47:41 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY