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Details

Stereochemistry ACHIRAL
Molecular Formula C16H21N4O3.Na
Molecular Weight 340.3527
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TOMELUKAST SODIUM

SMILES

[Na+].CCCC1=C(O)C(=CC=C1OCCCCC2=NN=N[N-]2)C(C)=O

InChI

InChIKey=WGUJPHDKJRVHMX-UHFFFAOYSA-M
InChI=1S/C16H22N4O3.Na/c1-3-6-13-14(9-8-12(11(2)21)16(13)22)23-10-5-4-7-15-17-19-20-18-15;/h8-9H,3-7,10H2,1-2H3,(H2,17,18,19,20,21,22);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
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 C16H21N4O3
Molecular Weight 317.3629
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

Approval Year

Substance Class Chemical
Record UNII
G4YL9T9SOU
Record Status Validated (UNII)
Record Version