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

Details

Stereochemistry ACHIRAL
Molecular Formula C24H26FN7O3.C7H8O3S
Molecular Weight 651.708
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NB-003

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.COCCOC2=CC3=C(C(F)=C2)C(NC4=CC=C(NC(=O)CN5C=C(N=N5)C(C)C)C=C4)=NC=N3

InChI

InChIKey=AWHHAHZPRULJMA-UHFFFAOYSA-N
InChI=1S/C24H26FN7O3.C7H8O3S/c1-15(2)21-12-32(31-30-21)13-22(33)28-16-4-6-17(7-5-16)29-24-23-19(25)10-18(35-9-8-34-3)11-20(23)26-14-27-24;1-6-2-4-7(5-3-6)11(8,9)10/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H,28,33)(H,26,27,29);2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula C7H8O3S
Molecular Weight 172.202
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H26FN7O3
Molecular Weight 479.5067
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 17:31:05 GMT 2023
Edited
by admin
on Sat Dec 16 17:31:05 GMT 2023
Record UNII
R3X99P2H4L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NB-003
Code English
N-(4-((5-FLUORO-7-(2-METHOXYETHOXY)QUINAZOLIN-4-YL)AMINO)PHENYL)-2-(4-(PROPAN-2-YL)-1H-(1,2,3)TRIAZOL-1-YL)ACETAMIDE TOSYLATE
Systematic Name English
AZD3229 TOSYLATE
Code English
AZD-3229 TOSYLATE
Code English
Code System Code Type Description
PUBCHEM
135367697
Created by admin on Sat Dec 16 17:31:05 GMT 2023 , Edited by admin on Sat Dec 16 17:31:05 GMT 2023
PRIMARY
FDA UNII
R3X99P2H4L
Created by admin on Sat Dec 16 17:31:05 GMT 2023 , Edited by admin on Sat Dec 16 17:31:05 GMT 2023
PRIMARY
CAS
2248003-71-4
Created by admin on Sat Dec 16 17:31:05 GMT 2023 , Edited by admin on Sat Dec 16 17:31:05 GMT 2023
PRIMARY