CJ-13610 S-OXIDE

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H23N3O3S
Molecular Weight	409.501
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0
Stereo Comments	Assumed racemic

SHOW SMILES / InChI

Structure Search

SMILES

CC1=NC=CN1C2=CC=C(C=C2)[S+]([O-])C3=CC=CC(=C3)C4(CCOCC4)C(N)=O

InChI

InChIKey=POAZJTPZGILARH-UHFFFAOYSA-N

InChI=1S/C22H23N3O3S/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/h2-8,11-12,15H,9-10,13-14H2,1H3,(H2,23,26)

HIDE SMILES / InChI

Molecular Formula	C22H23N3O3S
Molecular Weight	409.501
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:26:31 UTC 2023` Edited by `admin` on `Sat Dec 16 15:26:31 UTC 2023`
Record UNII	QGL2486XU2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CJ-13610 S-OXIDE

Common Name

English

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

Systematic Name

English

CP-680179

Common Name

English

CJ-13610 METABOLITE M2

Common Name

English

Code System Code Type Description

PUBCHEM

155884422

Created by admin on Sat Dec 16 15:26:31 UTC 2023 , Edited by admin on Sat Dec 16 15:26:31 UTC 2023

PRIMARY

FDA UNII

QGL2486XU2

Created by admin on Sat Dec 16 15:26:31 UTC 2023 , Edited by admin on Sat Dec 16 15:26:31 UTC 2023

PRIMARY

CAS

862686-91-7

Created by admin on Sat Dec 16 15:26:31 UTC 2023 , Edited by admin on Sat Dec 16 15:26:31 UTC 2023

PRIMARY

Related Record Type Details


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CJ-13610

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