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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H13ClN2O
Molecular Weight 248.708
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SELISISTAT, (S)-

SMILES

NC(=O)[C@H]1CCCC2=C1NC3=C2C=C(Cl)C=C3

InChI

InChIKey=FUZYTVDVLBBXDL-VIFPVBQESA-N
InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H13ClN2O
Molecular Weight 248.708
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
MUD9R3TJV3
Record Status Validated (UNII)
Record Version