U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H36N2O4.C6H15NO3
Molecular Weight 505.6883
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRIETHANOLAMINE MYRISTOYL GLUTAMINATE

SMILES

OCCN(CCO)CCO.CCCCCCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(O)=O

InChI

InChIKey=PORMJDSXCLLVLB-NTISSMGPSA-N
InChI=1S/C19H36N2O4.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(23)21-16(19(24)25)14-15-17(20)22;8-4-1-7(2-5-9)3-6-10/h16H,2-15H2,1H3,(H2,20,22)(H,21,23)(H,24,25);8-10H,1-6H2/t16-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C19H36N2O4
Molecular Weight 356.5001
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C6H15NO3
Molecular Weight 149.1882
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
874V4JG81Q
Record Status Validated (UNII)
Record Version