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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H16N2O3S.2ClH
Molecular Weight 401.307
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-[5-[(2-Aminoethyl)sulfonyl]-7-isoquinolinyl]phenol dihydrochloride

SMILES

Cl.Cl.NCCS(=O)(=O)C1=CC(=CC2=CN=CC=C12)C3=CC=C(O)C=C3

InChI

InChIKey=LWEAAWDKHBZPDJ-UHFFFAOYSA-N
InChI=1S/C17H16N2O3S.2ClH/c18-6-8-23(21,22)17-10-13(12-1-3-15(20)4-2-12)9-14-11-19-7-5-16(14)17;;/h1-5,7,9-11,20H,6,8,18H2;2*1H

HIDE SMILES / InChI

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

Molecular Formula C17H16N2O3S
Molecular Weight 328.386
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 20:56:40 GMT 2025
Edited
by admin
on Wed Apr 02 20:56:40 GMT 2025
Record UNII
24RYE23AZN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-[5-[(2-Aminoethyl)sulfonyl]-7-isoquinolinyl]phenol dihydrochloride
Systematic Name English
Phenol, 4-[5-[(2-aminoethyl)sulfonyl]-7-isoquinolinyl]-, hydrochloride (1:2)
Preferred Name English
Code System Code Type Description
FDA UNII
24RYE23AZN
Created by admin on Wed Apr 02 20:56:40 GMT 2025 , Edited by admin on Wed Apr 02 20:56:40 GMT 2025
PRIMARY
CAS
1000210-63-8
Created by admin on Wed Apr 02 20:56:40 GMT 2025 , Edited by admin on Wed Apr 02 20:56:40 GMT 2025
PRIMARY
PUBCHEM
23658401
Created by admin on Wed Apr 02 20:56:40 GMT 2025 , Edited by admin on Wed Apr 02 20:56:40 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY