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Details

Stereochemistry ABSOLUTE
Molecular Formula C5H9NO4.C4H11NO
Molecular Weight 236.2655
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEANOL GLUTAMATE

SMILES

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

InChI

InChIKey=IKFZABILOXSNSM-DFWYDOINSA-N
InChI=1S/C5H9NO4.C4H11NO/c6-3(5(9)10)1-2-4(7)8;1-5(2)3-4-6/h3H,1-2,6H2,(H,7,8)(H,9,10);6H,3-4H2,1-2H3/t3-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C4H11NO
Molecular Weight 89.1362
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

Molecular Formula C5H9NO4
Molecular Weight 147.1293
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

Approval Year

Substance Class Chemical
Record UNII
143J5TY01O
Record Status Validated (UNII)
Record Version