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Details

Stereochemistry ACHIRAL
Molecular Formula C27H23N5O4
Molecular Weight 481.5026
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRANLUKAST

SMILES

O=C(NC1=CC=CC2=C1OC(=CC2=O)C3=NN=NN3)C4=CC=C(OCCCCC5=CC=CC=C5)C=C4

InChI

InChIKey=NBQKINXMPLXUET-UHFFFAOYSA-N
InChI=1S/C27H23N5O4/c33-23-17-24(26-29-31-32-30-26)36-25-21(23)10-6-11-22(25)28-27(34)19-12-14-20(15-13-19)35-16-5-4-9-18-7-2-1-3-8-18/h1-3,6-8,10-15,17H,4-5,9,16H2,(H,28,34)(H,29,30,31,32)

HIDE SMILES / InChI

Molecular Formula C27H23N5O4
Molecular Weight 481.5026
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
TB8Z891092
Record Status Validated (UNII)
Record Version