CJ-13610

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H23N3O2S
Molecular Weight	393.502
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=NC=CN1C2=CC=C(SC3=CC=CC(=C3)C4(CCOCC4)C(N)=O)C=C2

InChI

InChIKey=VPTONMHDLLMOOV-UHFFFAOYSA-N

InChI=1S/C22H23N3O2S/c1-16-24-11-12-25(16)18-5-7-19(8-6-18)28-20-4-2-3-17(15-20)22(21(23)26)9-13-27-14-10-22/h2-8,11-12,15H,9-10,13-14H2,1H3,(H2,23,26)

HIDE SMILES / InChI

Molecular Formula	C22H23N3O2S
Molecular Weight	393.502
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 07:54:18 UTC 2023` Edited by `admin` on `Sat Dec 16 07:54:18 UTC 2023`
Record UNII	5275PJ1C59
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CJ-13610

Code

English

2H-PYRAN-4-CARBOXAMIDE, TETRAHYDRO-4-(3-((4-(2-METHYL-1H-IMIDAZOL-1-YL)PHENYL)THIO)PHENYL)-

Systematic Name

English

4-(3-((4-(2-METHYL-1H-IMIDAZOL-1-YL)PHENYL)SULFANYL)PHENYL)TETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

5275PJ1C59

Created by admin on Sat Dec 16 07:54:18 UTC 2023 , Edited by admin on Sat Dec 16 07:54:18 UTC 2023

PRIMARY

PUBCHEM

9821945

Created by admin on Sat Dec 16 07:54:18 UTC 2023 , Edited by admin on Sat Dec 16 07:54:18 UTC 2023

PRIMARY

CAS

179420-17-8

Created by admin on Sat Dec 16 07:54:18 UTC 2023 , Edited by admin on Sat Dec 16 07:54:18 UTC 2023

PRIMARY

EPA CompTox

DTXSID7047273

Created by admin on Sat Dec 16 07:54:18 UTC 2023 , Edited by admin on Sat Dec 16 07:54:18 UTC 2023

PRIMARY

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CJ-13610 MESYLATE

SALT/SOLVATE -> PARENT


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CYTOCHROME P450 3A4

METABOLIC ENZYME -> SUBSTRATE

Related Record Type Details


					Z35V7K69RZ

CJ-13610 SULFONE

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Comments:

IN VITRO


					TB2X372JEC

4-(3-(4-(ETHANIMIDOYLAMINO)PHENYL)SULFANYLPHENYL)TETRAHYDROPYRAN-4-CARBOXAMIDE

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					Y29CE6JU9R

(3-(4-CARBAMOYL-2,3-DIHYDROPYRAN-4-YL)PHENYL)-(4-(2-METHYLIMIDAZOL-1-YL)PHENYL)-OXIDO-SULFONIUM

METABOLITE -> PARENT

Comments:

IN VITRO


					QGL2486XU2

CJ-13610 S-OXIDE

METABOLITE -> PARENT

Comments:

IN VITRO


					XFZ5TN68Y8

4-(3-(4-(2-METHYLIMIDAZOL-1-YL)PHENYL)SULFANYLPHENYL)-2,3-DIHYDROPYRAN-4-CARBOXAMIDE

METABOLITE -> PARENT

Comments:

IN VITRO

Name	Property Type	Parameters
Biological Half-life	PHARMACOKINETIC	IN HEALTHY FASTED MALE SUBJECTS ORAL ADMINISTRATION SINGLE DOSE

Tmax	PHARMACOKINETIC	IN HEALTHY FASTED MALE SUBJECTS ORAL ADMINISTRATION SINGLE DOSE

Biological Half-life	PHARMACOKINETIC	SINGLE DOSE ORAL ADMINISTRATION IN HEALTHY FASTED MALE SUBJECTS

Tmax	PHARMACOKINETIC	SINGLE DOSE ORAL ADMINISTRATION IN HEALTHY FASTED MALE SUBJECTS