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Details

Stereochemistry ACHIRAL
Molecular Formula C17H16ClN2O6S2.Na
Molecular Weight 466.892
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM 2-((4-(3-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL)PHENYL)SULFONYL)ETHYL SULPHATE

SMILES

[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(Cl)C=C3

InChI

InChIKey=SCHJOQNFJJUICL-UHFFFAOYSA-M
InChI=1S/C17H17ClN2O6S2.Na/c18-14-3-1-13(2-4-14)17-9-10-20(19-17)15-5-7-16(8-6-15)27(21,22)12-11-26-28(23,24)25;/h1-8H,9-12H2,(H,23,24,25);/q;+1/p-1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
SODIUM 2-((4-(3-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL)PHENYL)SULFONYL)ETHYL SULPHATE
Systematic Name English
ETHANOL, 2-((4-(3-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL)PHENYL)SULFONYL)-, 1-(HYDROGEN SULFATE), SODIUM SALT (1:1)
Preferred Name English
Code System Code Type Description
CAS
94138-71-3
Created by admin on Wed Apr 02 11:45:41 GMT 2025 , Edited by admin on Wed Apr 02 11:45:41 GMT 2025
PRIMARY
FDA UNII
WB6PZ4FWT9
Created by admin on Wed Apr 02 11:45:41 GMT 2025 , Edited by admin on Wed Apr 02 11:45:41 GMT 2025
PRIMARY
ECHA (EC/EINECS)
302-987-6
Created by admin on Wed Apr 02 11:45:41 GMT 2025 , Edited by admin on Wed Apr 02 11:45:41 GMT 2025
PRIMARY
PUBCHEM
23662622
Created by admin on Wed Apr 02 11:45:41 GMT 2025 , Edited by admin on Wed Apr 02 11:45:41 GMT 2025
PRIMARY
EPA CompTox
DTXSID40240786
Created by admin on Wed Apr 02 11:45:41 GMT 2025 , Edited by admin on Wed Apr 02 11:45:41 GMT 2025
PRIMARY
NIH
NCATS
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