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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H23O5.Na
Molecular Weight 318.3406
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EXIPROBEN SODIUM, (S)-

SMILES

[Na+].CCCCCCOC[C@H](O)COC1=CC=CC=C1C([O-])=O

InChI

InChIKey=AHUAWUAHWZIPJC-ZOWNYOTGSA-M
InChI=1S/C16H24O5.Na/c1-2-3-4-7-10-20-11-13(17)12-21-15-9-6-5-8-14(15)16(18)19;/h5-6,8-9,13,17H,2-4,7,10-12H2,1H3,(H,18,19);/q;+1/p-1/t13-;/m0./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H23O5
Molecular Weight 295.3508
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:26:54 GMT 2023
Edited
by admin
on Sat Dec 16 11:26:54 GMT 2023
Record UNII
4Q05WP185Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EXIPROBEN SODIUM, (S)-
Common Name English
BENZOIC ACID, 2-(3-(HEXYLOXY)-2-HYDROXYPROPOXY)-, SODIUM SALT (1:1), (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
4Q05WP185Y
Created by admin on Sat Dec 16 11:26:54 GMT 2023 , Edited by admin on Sat Dec 16 11:26:54 GMT 2023
PRIMARY
PUBCHEM
90479380
Created by admin on Sat Dec 16 11:26:54 GMT 2023 , Edited by admin on Sat Dec 16 11:26:54 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER