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Details

Stereochemistry RACEMIC
Molecular Formula C17H15ClNO3.Na
Molecular Weight 339.749
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-PHENYLACETYL-P-CHLOROPHENYLALANINE SODIUM, DL-

SMILES

[Na+].[O-]C(=O)C(CC1=CC=C(Cl)C=C1)NC(=O)CC2=CC=CC=C2

InChI

InChIKey=HXFIKVDSHQWVRM-UHFFFAOYSA-M
InChI=1S/C17H16ClNO3.Na/c18-14-8-6-13(7-9-14)10-15(17(21)22)19-16(20)11-12-4-2-1-3-5-12;/h1-9,15H,10-11H2,(H,19,20)(H,21,22);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.98976928
Charge 1
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 C17H15ClNO3
Molecular Weight 316.759
Charge -1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Record UNII
NN4X9LX6JR
Record Status Validated (UNII)
Record Version