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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H21ClFN3O3
Molecular Weight 405.85
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAY-Y-3118 FREE BASE

SMILES

[H][C@]12CN(C[C@@]1([H])NCCC2)C3=C(Cl)C4=C(C=C3F)C(=O)C(=CN4C5CC5)C(O)=O

InChI

InChIKey=VRXORHRXNRJZCQ-ZUZCIYMTSA-N
InChI=1S/C20H21ClFN3O3/c21-16-17-12(19(26)13(20(27)28)8-25(17)11-3-4-11)6-14(22)18(16)24-7-10-2-1-5-23-15(10)9-24/h6,8,10-11,15,23H,1-5,7,9H2,(H,27,28)/t10-,15+/m0/s1

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Name Type Language
BAY-Y-3118 FREE BASE
Common Name English
3-QUINOLINECARBOXYLIC ACID, 8-CHLORO-1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-7-((4AS,7AS)-OCTAHYDRO-6H-PYRROLO(3,4-B)PYRIDIN-6-YL)-4-OXO-
Common Name English
Code System Code Type Description
FDA UNII
08VLU38WTI
Created by admin on Sat Dec 16 05:37:31 GMT 2023 , Edited by admin on Sat Dec 16 05:37:31 GMT 2023
PRIMARY
PUBCHEM
119375
Created by admin on Sat Dec 16 05:37:31 GMT 2023 , Edited by admin on Sat Dec 16 05:37:31 GMT 2023
PRIMARY
CAS
151213-16-0
Created by admin on Sat Dec 16 05:37:31 GMT 2023 , Edited by admin on Sat Dec 16 05:37:31 GMT 2023
PRIMARY
EPA CompTox
DTXSID40164736
Created by admin on Sat Dec 16 05:37:31 GMT 2023 , Edited by admin on Sat Dec 16 05:37:31 GMT 2023
PRIMARY