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Details

Stereochemistry MIXED
Molecular Formula C22H21N3O3S
Molecular Weight 407.4874
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3-(4-CARBAMOYL-2,3-DIHYDROPYRAN-4-YL)PHENYL)-(4-(2-METHYLIMIDAZOL-1-YL)PHENYL)-OXIDO-SULFONIUM

SMILES

Cc1nccn1-c2ccc(cc2)S(=O)c3cccc(c3)C4(C=COCC4)C(=N)O

InChI

InChIKey=MTWJCSCLMWKIQI-UHFFFAOYSA-N
InChI=1S/C22H21N3O3S/c1-16-24-11-12-25(16)18-5-7-19(8-6-18)29(27)20-4-2-3-17(15-20)22(21(23)26)9-13-28-14-10-22/h2-9,11-13,15H,10,14H2,1H3,(H2,23,26)

HIDE SMILES / InChI

Molecular Formula C22H21N3O3S
Molecular Weight 407.4874
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 07:52:23 UTC 2021
Edited
by admin
on Sat Jun 26 07:52:23 UTC 2021
Record UNII
Y29CE6JU9R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3-(4-CARBAMOYL-2,3-DIHYDROPYRAN-4-YL)PHENYL)-(4-(2-METHYLIMIDAZOL-1-YL)PHENYL)-OXIDO-SULFONIUM
Systematic Name English
CJ-13610 METABOLITE M7
Common Name English
CJ-13610 S-OXIDE, (2,3-DIHYDROPYRAN)-
Common Name English
Code System Code Type Description
PUBCHEM
155804742
Created by admin on Sat Jun 26 07:52:23 UTC 2021 , Edited by admin on Sat Jun 26 07:52:23 UTC 2021
PRIMARY PUBCHEM
FDA UNII
Y29CE6JU9R
Created by admin on Sat Jun 26 07:52:23 UTC 2021 , Edited by admin on Sat Jun 26 07:52:23 UTC 2021
PRIMARY
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