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Details

Stereochemistry ACHIRAL
Molecular Formula C12H23O5S.H4N
Molecular Weight 297.411
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMMONIUM CAPROYL ISETHIONATE

SMILES

[NH4+].CCCCCCCCCC(=O)OCCS([O-])(=O)=O

InChI

InChIKey=QNMNINICCPGAAU-UHFFFAOYSA-N
InChI=1S/C12H24O5S.H3N/c1-2-3-4-5-6-7-8-9-12(13)17-10-11-18(14,15)16;/h2-11H2,1H3,(H,14,15,16);1H3

HIDE SMILES / InChI

Molecular Formula C12H23O5S
Molecular Weight 279.373
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H4N
Molecular Weight 18.0385
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 Sat Dec 16 01:28:04 GMT 2023
Edited
by admin
on Sat Dec 16 01:28:04 GMT 2023
Record UNII
PRO198YJ03
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMMONIUM CAPROYL ISETHIONATE
Systematic Name English
Code System Code Type Description
PUBCHEM
76969242
Created by admin on Sat Dec 16 01:28:04 GMT 2023 , Edited by admin on Sat Dec 16 01:28:04 GMT 2023
PRIMARY
FDA UNII
PRO198YJ03
Created by admin on Sat Dec 16 01:28:04 GMT 2023 , Edited by admin on Sat Dec 16 01:28:04 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE