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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H19ClN2OS
Molecular Weight 418.938
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of K-832

SMILES

CSC1=CC=C(C=C1)C2=NN(CC3=CC=CC=C3)C(=O)C=C2C4=CC=C(Cl)C=C4

InChI

InChIKey=HEUAVAATAFEENP-UHFFFAOYSA-N
InChI=1S/C24H19ClN2OS/c1-29-21-13-9-19(10-14-21)24-22(18-7-11-20(25)12-8-18)15-23(28)27(26-24)16-17-5-3-2-4-6-17/h2-15H,16H2,1H3

HIDE SMILES / InChI

Molecular Formula C24H19ClN2OS
Molecular Weight 418.938
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Enhancement of dissolution rate and oral absorption of a poorly water-soluble drug, K-832, by adsorption onto porous silica using supercritical carbon dioxide.
2010-10
Patents
Substance Class Chemical
Created
by admin
on Wed Apr 02 09:46:31 GMT 2025
Edited
by admin
on Wed Apr 02 09:46:31 GMT 2025
Record UNII
WR9SVX36QF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
K 832
Preferred Name English
K-832
Common Name English
3(2H)-PYRIDAZINONE, 5-(4-CHLOROPHENYL)-6-(4-(METHYLTHIO)PHENYL)-2-(PHENYLMETHYL)-
Systematic Name English
2-BENZYL-5-(4-CHLOROPHENYL)-6-(4-METHYLSULFANYLPHENYL)PYRIDAZIN-3-ONE
Systematic Name English
5-(4-CHLOROPHENYL)-6-(4-(METHYLTHIO)PHENYL)-2-(PHENYLMETHYL)-3(2H)-PYRIDAZINONE
Systematic Name English
Code System Code Type Description
PUBCHEM
9844960
Created by admin on Wed Apr 02 09:46:31 GMT 2025 , Edited by admin on Wed Apr 02 09:46:31 GMT 2025
PRIMARY
CAS
225666-85-3
Created by admin on Wed Apr 02 09:46:31 GMT 2025 , Edited by admin on Wed Apr 02 09:46:31 GMT 2025
PRIMARY
SMS_ID
300000050555
Created by admin on Wed Apr 02 09:46:31 GMT 2025 , Edited by admin on Wed Apr 02 09:46:31 GMT 2025
PRIMARY
FDA UNII
WR9SVX36QF
Created by admin on Wed Apr 02 09:46:31 GMT 2025 , Edited by admin on Wed Apr 02 09:46:31 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY
Results of an in vivo absorption test showed that the area under the plasma concentration-time curve and peak concentration of K-832-silica scCO(2) were 8.3- and 13.3-fold greater than those of K-832 crystal, whereas the corresponding values of K-832-silica DCM were 5.0- and 8.3-fold greater than those of K-832 crystal.