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Details

Stereochemistry ACHIRAL
Molecular Formula C24H30N8O.2C7H8O3S
Molecular Weight 790.951
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BOS-172722 ditosylate

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CC2=CC=C(C=C2)S(O)(=O)=O.CCOC3=C(NC4=NC5=C(C=N4)C=C(C)N=C5NCC(C)(C)C)C=CC(=C3)C6=NN=CN6C

InChI

InChIKey=RVYHECSMSZUFPF-UHFFFAOYSA-N
InChI=1S/C24H30N8O.2C7H8O3S/c1-7-33-19-11-16(22-31-27-14-32(22)6)8-9-18(19)29-23-25-12-17-10-15(2)28-21(20(17)30-23)26-13-24(3,4)5;2*1-6-2-4-7(5-3-6)11(8,9)10/h8-12,14H,7,13H2,1-6H3,(H,26,28)(H,25,29,30);2*2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula C24H30N8O
Molecular Weight 446.548
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:49:42 GMT 2025
Edited
by admin
on Wed Apr 02 19:49:42 GMT 2025
Record UNII
2K4CP8SA45
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pyrido[3,4-d]pyrimidine-2,8-diamine, N8-(2,2-dimethylpropyl)-N2-[2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl]-6-methyl-, compd. with 4-methylbenzenesulfonate (1:2)
Preferred Name English
BOS-172722 ditosylate
Code English
BOS172722 DI P-TOLUENESULFONATE
Code English
Code System Code Type Description
FDA UNII
2K4CP8SA45
Created by admin on Wed Apr 02 19:49:42 GMT 2025 , Edited by admin on Wed Apr 02 19:49:42 GMT 2025
PRIMARY
CAS
2396543-76-1
Created by admin on Wed Apr 02 19:49:42 GMT 2025 , Edited by admin on Wed Apr 02 19:49:42 GMT 2025
PRIMARY
CAS
2396543-76-1
Created by admin on Wed Apr 02 19:49:42 GMT 2025 , Edited by admin on Wed Apr 02 19:49:42 GMT 2025
PRIMARY
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