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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H18FN3
Molecular Weight 283.3433
Optical Activity ( - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XTRA

SMILES

CN1[C@H]2CC[C@@H]1[C@H](C2)C3=CN=CC(=C3)C4=C(F)N=CC=C4

InChI

InChIKey=ASRVLPPSPFUIAG-NUEKZKHPSA-N
InChI=1S/C17H18FN3/c1-21-13-4-5-16(21)15(8-13)12-7-11(9-19-10-12)14-3-2-6-20-17(14)18/h2-3,6-7,9-10,13,15-16H,4-5,8H2,1H3/t13-,15+,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H18FN3
Molecular Weight 283.3433
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:30:17 GMT 2023
Edited
by admin
on Sat Dec 16 14:30:17 GMT 2023
Record UNII
4DU7SLR35U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XTRA
Code English
7-AZABICYCLO(2.2.1)HEPTANE, 2-(2'-FLUORO(3,3'-BIPYRIDIN)-5-YL)-7-METHYL-, (1R,2R,4S)-REL-(-)-
Systematic Name English
(-)-7-METHYL-2-EXO-(3-(2-FLUOROPYRIDIN-3-YL)-5-PYRIDINYL)-7-AZABICYCLO(2.2.1)HEPTANE
Systematic Name English
Code System Code Type Description
CAS
1044503-70-9
Created by admin on Sat Dec 16 14:30:17 GMT 2023 , Edited by admin on Sat Dec 16 14:30:17 GMT 2023
PRIMARY
PUBCHEM
24950397
Created by admin on Sat Dec 16 14:30:17 GMT 2023 , Edited by admin on Sat Dec 16 14:30:17 GMT 2023
PRIMARY
FDA UNII
4DU7SLR35U
Created by admin on Sat Dec 16 14:30:17 GMT 2023 , Edited by admin on Sat Dec 16 14:30:17 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
LABELED -> NON-LABELED