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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H11N3O2
Molecular Weight 277.2774
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AP-24600

SMILES

CC1=CC=C(C=C1C#CC2=CN=C3C=CC=NN23)C(O)=O

InChI

InChIKey=SCMPXDBRMCTALZ-UHFFFAOYSA-N
InChI=1S/C16H11N3O2/c1-11-4-5-13(16(20)21)9-12(11)6-7-14-10-17-15-3-2-8-18-19(14)15/h2-5,8-10H,1H3,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C16H11N3O2
Molecular Weight 277.2774
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Tue Oct 22 17:33:08 UTC 2019
Edited
by admin
on Tue Oct 22 17:33:08 UTC 2019
Record UNII
OZ477A282R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AP-24600
Common Name English
AP24600
Common Name English
BENZOIC ACID, 3-(2-IMIDAZO(1,2-B)PYRIDAZIN-3-YLETHYNYL)-4-METHYL-
Systematic Name English
Code System Code Type Description
CAS
1300690-48-5
Created by admin on Tue Oct 22 17:33:09 UTC 2019 , Edited by admin on Tue Oct 22 17:33:09 UTC 2019
PRIMARY
PUBCHEM
58945624
Created by admin on Tue Oct 22 17:33:09 UTC 2019 , Edited by admin on Tue Oct 22 17:33:09 UTC 2019
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
PLASMA; URINE