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Details

Stereochemistry EPIMERIC
Molecular Formula C14H11FN2O2
Molecular Weight 258.2483
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((4S)-1,3-DIOXO-4,5,6,6A-TETRAHYDRO-3AH-CYCLOPENTA(C)PYRROL-4-YL)-3-FLUORO-BENZONITRILE

SMILES

c1cc([C@@]2([H])CCC3([H])C2([H])C(=O)N=C3O)c(cc1C#N)F

InChI

InChIKey=ZFGDYXRXIQWWRJ-GRZMOONWSA-N
InChI=1S/C14H11FN2O2/c15-11-5-7(6-16)1-2-8(11)9-3-4-10-12(9)14(19)17-13(10)18/h1-2,5,9-10,12H,3-4H2,(H,17,18,19)/t9-,10?,12?/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H11FN2O2
Molecular Weight 258.2483
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 22:54:06 UTC 2021
Edited
by admin
on Fri Jun 25 22:54:06 UTC 2021
Record UNII
SAF38P1V2F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((4S)-1,3-DIOXO-4,5,6,6A-TETRAHYDRO-3AH-CYCLOPENTA(C)PYRROL-4-YL)-3-FLUORO-BENZONITRILE
Systematic Name English
OSILODROSTAT METABOLITE M34.5
Common Name English
LXB168
Common Name English
Code System Code Type Description
FDA UNII
SAF38P1V2F
Created by admin on Fri Jun 25 22:54:06 UTC 2021 , Edited by admin on Fri Jun 25 22:54:06 UTC 2021
PRIMARY
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