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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H28N6O3.H2O
Molecular Weight 478.5435
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-2798745 HYDRATE

SMILES

O.CC(C)(O)C1=CN=C(C=N1)N2C[C@@]3(CCC[C@](C)(CN4C=NC5=C4C=C(C=C5)C#N)C3)OC2=O

InChI

InChIKey=OQQMLUFQKLWXNB-DKIIUIKKSA-N
InChI=1S/C25H28N6O3.H2O/c1-23(2,33)20-11-28-21(12-27-20)31-15-25(34-22(31)32)8-4-7-24(3,13-25)14-30-16-29-18-6-5-17(10-26)9-19(18)30;/h5-6,9,11-12,16,33H,4,7-8,13-15H2,1-3H3;1H2/t24-,25-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
GSK-2798745 HYDRATE
Common Name English
1-(((5S,7S)-3-(5-(2-HYDROXYPROPAN-2-YL)PYRAZIN-2-YL)-7-METHYL-2-OXO-1-OXA-3-AZASPIRO[4.5]DECAN-7-YL)METHYL)-1H-BENZO[D]IMIDAZOLE-6-CARBONITRILE HYDRATE
Preferred Name English
Code System Code Type Description
PUBCHEM
142449207
Created by admin on Wed Apr 02 12:03:39 GMT 2025 , Edited by admin on Wed Apr 02 12:03:39 GMT 2025
PRIMARY
SMS_ID
300000018858
Created by admin on Wed Apr 02 12:03:39 GMT 2025 , Edited by admin on Wed Apr 02 12:03:39 GMT 2025
PRIMARY
FDA UNII
JA6HK3XJM5
Created by admin on Wed Apr 02 12:03:39 GMT 2025 , Edited by admin on Wed Apr 02 12:03:39 GMT 2025
PRIMARY