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Details

Stereochemistry ACHIRAL
Molecular Formula C22H23N3O4S
Molecular Weight 425.5026
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CJ-13610 SULFONE

SMILES

Cc1nccn1-c2ccc(cc2)S(=O)(=O)c3cccc(c3)C4(CCOCC4)C(=N)O

InChI

InChIKey=DMDCAXAXTXVEND-UHFFFAOYSA-N
InChI=1S/C22H23N3O4S/c1-16-24-11-12-25(16)18-5-7-19(8-6-18)30(27,28)20-4-2-3-17(15-20)22(21(23)26)9-13-29-14-10-22/h2-8,11-12,15H,9-10,13-14H2,1H3,(H2,23,26)

HIDE SMILES / InChI

Molecular Formula C22H23N3O4S
Molecular Weight 425.5026
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 Jun 26 14:10:39 UTC 2021
Edited
by admin
on Sat Jun 26 14:10:39 UTC 2021
Record UNII
Z35V7K69RZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CJ-13610 SULFONE
Common Name English
CJ-13610 METABOLITE M4
Common Name English
2H-PYRAN-4-CARBOXAMIDE, TETRAHYDRO-4-(3-((4-(2-METHYL-1H-IMIDAZOL-1-YL)PHENYL)SULFONYL)PHENYL)-
Systematic Name English
TETRAHYDRO-4-(3-((4-(2-METHYL-1H-IMIDAZOL-1-YL)PHENYL)SULFONYL)PHENYL)-2H-PYRAN-4-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
CAS
179420-33-8
Created by admin on Sat Jun 26 14:10:39 UTC 2021 , Edited by admin on Sat Jun 26 14:10:39 UTC 2021
PRIMARY
PUBCHEM
11166189
Created by admin on Sat Jun 26 14:10:39 UTC 2021 , Edited by admin on Sat Jun 26 14:10:39 UTC 2021
PRIMARY
FDA UNII
Z35V7K69RZ
Created by admin on Sat Jun 26 14:10:39 UTC 2021 , Edited by admin on Sat Jun 26 14:10:39 UTC 2021
PRIMARY
Related Record Type Details
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