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 NONE
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 No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:54:03 GMT 2023
Edited
by admin
on Sat Dec 16 07:54:03 GMT 2023
Record UNII
OZ477A282R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AP-24600
Common Name English
3-[(Imidazo[1,2-b]pyridazin-3-yl)ethynyl]-4-methylbenzoic acid
Systematic Name English
3-(2-Imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoic acid
Systematic 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 Sat Dec 16 07:54:03 GMT 2023 , Edited by admin on Sat Dec 16 07:54:03 GMT 2023
PRIMARY
FDA UNII
OZ477A282R
Created by admin on Sat Dec 16 07:54:03 GMT 2023 , Edited by admin on Sat Dec 16 07:54:03 GMT 2023
PRIMARY
PUBCHEM
58945624
Created by admin on Sat Dec 16 07:54:03 GMT 2023 , Edited by admin on Sat Dec 16 07:54:03 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE INACTIVE
PLASMA; URINE