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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H22NO3.Na
Molecular Weight 263.3084
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SODIUM CAPRYLOYL PROLINE

SMILES

[Na+].CCCCCCCC(=O)N1CCC[C@H]1C([O-])=O

InChI

InChIKey=ZBAUHKVLXIGDPS-MERQFXBCSA-M
InChI=1S/C13H23NO3.Na/c1-2-3-4-5-6-9-12(15)14-10-7-8-11(14)13(16)17;/h11H,2-10H2,1H3,(H,16,17);/q;+1/p-1/t11-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C13H22NO3
Molecular Weight 240.3187
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

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

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:01:49 GMT 2023
Edited
by admin
on Sat Dec 16 02:01:49 GMT 2023
Record UNII
UR92S7MH97
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SODIUM CAPRYLOYL PROLINE
Systematic Name English
L-PROLINE, 1-(1-OXOOCTYL)-, SODIUM SALT
Common Name English
Code System Code Type Description
FDA UNII
UR92S7MH97
Created by admin on Sat Dec 16 02:01:50 GMT 2023 , Edited by admin on Sat Dec 16 02:01:50 GMT 2023
PRIMARY
PUBCHEM
71587843
Created by admin on Sat Dec 16 02:01:50 GMT 2023 , Edited by admin on Sat Dec 16 02:01:50 GMT 2023
PRIMARY
EPA CompTox
DTXSID80236729
Created by admin on Sat Dec 16 02:01:50 GMT 2023 , Edited by admin on Sat Dec 16 02:01:50 GMT 2023
PRIMARY
CAS
879872-43-2
Created by admin on Sat Dec 16 02:01:50 GMT 2023 , Edited by admin on Sat Dec 16 02:01:50 GMT 2023
PRIMARY