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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H29N3O5.3ClH
Molecular Weight 524.866
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NINERAFAXSTAT TRIHYDROCHLORIDE

SMILES

Cl.Cl.Cl.COC1=CC=C(CN2CCN(CCOC(=O)C3=CN=CC=C3)CC2)C(OC)=C1OC

InChI

InChIKey=XDBODYSZDLGFRQ-UHFFFAOYSA-N
InChI=1S/C22H29N3O5.3ClH/c1-27-19-7-6-18(20(28-2)21(19)29-3)16-25-11-9-24(10-12-25)13-14-30-22(26)17-5-4-8-23-15-17;;;/h4-8,15H,9-14,16H2,1-3H3;3*1H

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-PYRIDINECARBOXYLIC ACID, 2-(4-((2,3,4-TRIMETHOXYPHENYL)METHYL)-1-PIPERAZINYL)ETHYL ESTER, HYDROCHLORIDE (1:3)
Preferred Name English
NINERAFAXSTAT TRIHYDROCHLORIDE
Common Name English
2-(4-((2,3,4-TRIMETHOXYPHENYL)METHYL)PIPERAZIN-1-YL)ETHYL PYRIDINE-3-CARBOXYLATE TRIHYDROCHLORIDE
Systematic Name English
IMB-1018972 TRIHYDROCHLORIDE
Code English
Code System Code Type Description
CAS
2311824-72-1
Created by admin on Wed Apr 02 00:49:04 GMT 2025 , Edited by admin on Wed Apr 02 00:49:04 GMT 2025
PRIMARY
FDA UNII
I323MN994L
Created by admin on Wed Apr 02 00:49:04 GMT 2025 , Edited by admin on Wed Apr 02 00:49:04 GMT 2025
PRIMARY
PUBCHEM
155801579
Created by admin on Wed Apr 02 00:49:04 GMT 2025 , Edited by admin on Wed Apr 02 00:49:04 GMT 2025
PRIMARY PUBCHEM
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966