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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H25FN2O4S.ClH
Molecular Weight 468.969
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-CAB agent 2 hydrochloride

SMILES

Cl.CNCC1=CN(C(=C1)C2=C(F)C=CC=C2)S(=O)(=O)C3=CC(OCCCOC)=CC=C3

InChI

InChIKey=JWWFXPUXOBHMCJ-UHFFFAOYSA-N
InChI=1S/C22H25FN2O4S.ClH/c1-24-15-17-13-22(20-9-3-4-10-21(20)23)25(16-17)30(26,27)19-8-5-7-18(14-19)29-12-6-11-28-2;/h3-5,7-10,13-14,16,24H,6,11-12,15H2,1-2H3;1H

HIDE SMILES / InChI

Approval Year

Name Type Language
P-CAB agent 2 hydrochloride
Preferred Name English
Code System Code Type Description
CAS
2209911-80-6
Created by admin on Wed Apr 02 06:32:30 GMT 2025 , Edited by admin on Wed Apr 02 06:32:30 GMT 2025
PRIMARY
FDA UNII
WZ3ED9XFX7
Created by admin on Wed Apr 02 06:32:30 GMT 2025 , Edited by admin on Wed Apr 02 06:32:30 GMT 2025
PRIMARY
PUBCHEM
141515831
Created by admin on Wed Apr 02 06:32:30 GMT 2025 , Edited by admin on Wed Apr 02 06:32:30 GMT 2025
PRIMARY