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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16O7PS.3K
Molecular Weight 500.628
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Tripotassium (1R)-4-(3-phenoxyphenyl)-1-phosphonatobutane-1-sulfonate

SMILES

[K+].[K+].[K+].[O-]P([O-])(=O)[C@@H](CCCC1=CC(OC2=CC=CC=C2)=CC=C1)S([O-])(=O)=O

InChI

InChIKey=DRADVLDMPYYQDB-UFRNLTNDSA-K
InChI=1S/C16H19O7PS.3K/c17-24(18,19)16(25(20,21)22)11-5-7-13-6-4-10-15(12-13)23-14-8-2-1-3-9-14;;;/h1-4,6,8-10,12,16H,5,7,11H2,(H2,17,18,19)(H,20,21,22);;;/q;3*+1/p-3/t16-;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula C16H16O7PS
Molecular Weight 383.333
Charge -3
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:25:24 GMT 2025
Edited
by admin
on Wed Apr 02 17:25:24 GMT 2025
Record UNII
EZB5WC3F9S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzenebutanesulfonic acid, 3-phenoxy-?-phosphono-, potassium salt (1:3), (?R)-
Preferred Name English
Tripotassium (1R)-4-(3-phenoxyphenyl)-1-phosphonatobutane-1-sulfonate
Systematic Name English
Benzenebutanesulfonic acid, 3-phenoxy-?-phosphono-, tripotassium salt, (?R)-
Systematic Name English
Code System Code Type Description
FDA UNII
EZB5WC3F9S
Created by admin on Wed Apr 02 17:25:24 GMT 2025 , Edited by admin on Wed Apr 02 17:25:24 GMT 2025
PRIMARY
CAS
157126-16-4
Created by admin on Wed Apr 02 17:25:24 GMT 2025 , Edited by admin on Wed Apr 02 17:25:24 GMT 2025
PRIMARY
PUBCHEM
25224069
Created by admin on Wed Apr 02 17:25:24 GMT 2025 , Edited by admin on Wed Apr 02 17:25:24 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE