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

Details

Stereochemistry ACHIRAL
Molecular Formula C13H14N4O2
Molecular Weight 258.2759
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FR-168888 FREE BASE

SMILES

NC(=N)NC(=O)C1=CC(=CC(CO)=C1)N2C=CC=C2

InChI

InChIKey=GGGBRMYYNXZUDS-UHFFFAOYSA-N
InChI=1S/C13H14N4O2/c14-13(15)16-12(19)10-5-9(8-18)6-11(7-10)17-3-1-2-4-17/h1-7,18H,8H2,(H4,14,15,16,19)

HIDE SMILES / InChI

Molecular Formula C13H14N4O2
Molecular Weight 258.2759
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 Dec 16 09:16:57 GMT 2023
Edited
by admin
on Sat Dec 16 09:16:57 GMT 2023
Record UNII
H0PN43065B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FR-168888 FREE BASE
Common Name English
BENZAMIDE, N-(AMINOIMINOMETHYL)-3-(HYDROXYMETHYL)-5-(1H-PYRROL-1-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
9950471
Created by admin on Sat Dec 16 09:16:57 GMT 2023 , Edited by admin on Sat Dec 16 09:16:57 GMT 2023
PRIMARY
CAS
168620-45-9
Created by admin on Sat Dec 16 09:16:57 GMT 2023 , Edited by admin on Sat Dec 16 09:16:57 GMT 2023
PRIMARY
FDA UNII
H0PN43065B
Created by admin on Sat Dec 16 09:16:57 GMT 2023 , Edited by admin on Sat Dec 16 09:16:57 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY