U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C17H18N2O2
Molecular Weight 282.3377
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of L-696229

SMILES

CCc1cc(CCc2nc3ccccc3o2)c(nc1C)O

InChI

InChIKey=MHUVLRNBDLFMHQ-UHFFFAOYSA-N
InChI=1S/C17H18N2O2/c1-3-12-10-13(17(20)18-11(12)2)8-9-16-19-14-6-4-5-7-15(14)21-16/h4-7,10H,3,8-9H2,1-2H3,(H,18,20)

HIDE SMILES / InChI

Molecular Formula C17H18N2O2
Molecular Weight 282.3377
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 08:13:00 UTC 2021
Edited
by admin
on Sat Jun 26 08:13:00 UTC 2021
Record UNII
I3C7FZT2V8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
L-696229
Code English
L-696,229
Code English
2(1H)-PYRIDINONE, 3-(2-(2-BENZOXAZOLYL)ETHYL)-5-ETHYL-6-METHYL-
Common Name English
3-(2-(2-BENZOXAZOLYL)ETHYL)-5-ETHYL-6-METHYL-2(1H)-PYRIDINONE
Common Name English
Code System Code Type Description
FDA UNII
I3C7FZT2V8
Created by admin on Sat Jun 26 08:13:00 UTC 2021 , Edited by admin on Sat Jun 26 08:13:00 UTC 2021
PRIMARY
PUBCHEM
72352
Created by admin on Sat Jun 26 08:13:00 UTC 2021 , Edited by admin on Sat Jun 26 08:13:00 UTC 2021
PRIMARY
CAS
135525-71-2
Created by admin on Sat Jun 26 08:13:00 UTC 2021 , Edited by admin on Sat Jun 26 08:13:00 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
IC50
Related Record Type Details
METABOLITE -> PARENT
PLASMA; URINE
METABOLITE -> PARENT
PLASMA; URINE
METABOLITE -> PARENT
PLASMA; URINE
METABOLITE -> PARENT
PLASMA
METABOLITE -> PARENT
URINE