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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H20N2O2S2.H2O4S
Molecular Weight 458.572
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JPC-80 ANHYDROUS

SMILES

OS(O)(=O)=O.CC1=C(O)C(CSSCC2=C(C=C)C=NC(C)=C2O)=C(C=C)C=N1

InChI

InChIKey=GXVMXLOBFFMROS-UHFFFAOYSA-N
InChI=1S/C18H20N2O2S2.H2O4S/c1-5-13-7-19-11(3)17(21)15(13)9-23-24-10-16-14(6-2)8-20-12(4)18(16)22;1-5(2,3)4/h5-8,21-22H,1-2,9-10H2,3-4H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
3-PYRIDINOL, 4,4'-(DITHIOBIS(METHYLENE))BIS(5-ETHENYL-2-METHYL-, SULFATE (1:1) (SALT)
Preferred Name English
JPC-80 ANHYDROUS
Code English
4,4-DITHIODIMETHYLENE-BIS(5-ETHENYL-2-METHYL-3-PYRIDINOL)SULFATE
Systematic Name English
4,4-DITHIODIMETHYLENE-BIS(5-ETHENYL-2-METHYL-3-PYRIDINOL)SULPHATE
Systematic Name English
Code System Code Type Description
CAS
69054-00-8
Created by admin on Tue Apr 01 21:15:24 GMT 2025 , Edited by admin on Tue Apr 01 21:15:24 GMT 2025
PRIMARY
PUBCHEM
88825059
Created by admin on Tue Apr 01 21:15:24 GMT 2025 , Edited by admin on Tue Apr 01 21:15:24 GMT 2025
PRIMARY
FDA UNII
TF4FU9SG24
Created by admin on Tue Apr 01 21:15:24 GMT 2025 , Edited by admin on Tue Apr 01 21:15:24 GMT 2025
PRIMARY
PARENT (SALT/SOLVATE)
Structure of JPC-80 FREE BASE
SUBSTANCE RECORD
Structure of JPC-80 ANHYDROUS
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