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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H15NO3S
Molecular Weight 265.328
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PD-161374

SMILES

CC[C@H](C)[C@H](N1SC2=C(C=CC=C2)C1=O)C(O)=O

InChI

InChIKey=FUSYFEXGXRDJNB-KWQFWETISA-N
InChI=1S/C13H15NO3S/c1-3-8(2)11(13(16)17)14-12(15)9-6-4-5-7-10(9)18-14/h4-8,11H,3H2,1-2H3,(H,16,17)/t8-,11-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H15NO3S
Molecular Weight 265.328
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Inhibition of the early phase of HIV replication by an isothiazolone, PD 161374.
2001-02
2,2'-Dithiobisbenzamides and 2-benzisothiazolones, two new classes of antiretroviral agents: SAR and mechanistic considerations.
1997-05
The human immunodeficiency virus type 1 (HIV-1) nucleocapsid protein zinc ejection activity of disulfide benzamides and benzisothiazolones: correlation with anti-HIV and virucidal activities.
1997-02
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:00:32 GMT 2025
Edited
by admin
on Mon Mar 31 18:00:32 GMT 2025
Record UNII
103QB0867Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-BENZISOTHIAZOLE-2(3H)-ACETIC ACID, .ALPHA.-((1S)-1-METHYLPROPYL)-3-OXO-, (.ALPHA.S)-
Preferred Name English
PD-161374
Code English
A-(1-METHYLPROPYL)-3-OXO-1,2-BENZOISOTHIAZOLE-2(3H)-ACETIC ACID, S-(R*,R*)
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID3047261
Created by admin on Mon Mar 31 18:00:32 GMT 2025 , Edited by admin on Mon Mar 31 18:00:32 GMT 2025
PRIMARY
PUBCHEM
462368
Created by admin on Mon Mar 31 18:00:32 GMT 2025 , Edited by admin on Mon Mar 31 18:00:32 GMT 2025
PRIMARY
CAS
177785-47-6
Created by admin on Mon Mar 31 18:00:32 GMT 2025 , Edited by admin on Mon Mar 31 18:00:32 GMT 2025
PRIMARY
FDA UNII
103QB0867Q
Created by admin on Mon Mar 31 18:00:32 GMT 2025 , Edited by admin on Mon Mar 31 18:00:32 GMT 2025
PRIMARY