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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H24F3N5O3.CH4O3S
Molecular Weight 583.58
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AZD-8529 MESYLATE

SMILES

CS(O)(=O)=O.CC1=CC(=CC2=C1C(=O)N(CC3=CC=C(OC(F)(F)F)C=C3)C2)C4=NC(CN5CCNCC5)=NO4

InChI

InChIKey=HRHCPVNKPOTCGB-UHFFFAOYSA-N
InChI=1S/C24H24F3N5O3.CH4O3S/c1-15-10-17(22-29-20(30-35-22)14-31-8-6-28-7-9-31)11-18-13-32(23(33)21(15)18)12-16-2-4-19(5-3-16)34-24(25,26)27;1-5(2,3)4/h2-5,10-11,28H,6-9,12-14H2,1H3;1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula C24H24F3N5O3
Molecular Weight 487.4743
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CH4O3S
Molecular Weight 96.106
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 01:43:32 GMT 2023
Edited
by admin
on Sat Dec 16 01:43:32 GMT 2023
Record UNII
29K1DH0MV7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AZD-8529 MESYLATE
Code English
1H-ISOINDOL-1-ONE, 2,3-DIHYDRO-7-METHYL-5-(3-(1-PIPERAZINYLMETHYL)-1,2,4-OXADIAZOL-5-YL)-2-((4-(TRIFLUOROMETHOXY)PHENYL)METHYL)-, METHANESULFONATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
29K1DH0MV7
Created by admin on Sat Dec 16 01:43:32 GMT 2023 , Edited by admin on Sat Dec 16 01:43:32 GMT 2023
PRIMARY
CAS
1314217-69-0
Created by admin on Sat Dec 16 01:43:32 GMT 2023 , Edited by admin on Sat Dec 16 01:43:32 GMT 2023
PRIMARY
PUBCHEM
53495155
Created by admin on Sat Dec 16 01:43:32 GMT 2023 , Edited by admin on Sat Dec 16 01:43:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE