CJ-13610 MESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H23N3O2S.CH4O3S
Molecular Weight	489.608
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=WRQQAESBKZTAFL-UHFFFAOYSA-N

InChI=1S/C22H23N3O2S.CH4O3S/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;1-5(2,3)4/h2-8,11-12,15H,9-10,13-14H2,1H3,(H2,23,26);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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 `Fri Dec 15 15:57:03 GMT 2023` Edited by `admin` on `Fri Dec 15 15:57:03 GMT 2023`
Record UNII	TJY190LBT9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CJ-13610 MESYLATE

Code

English

4-(3-(4-(2-METHYLIMIDAZOL-1-YL)PHENYLTHIO))PHENYL-3,4,5,6-TETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE MESYLATE

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

249296-43-3

Created by admin on Fri Dec 15 15:57:03 GMT 2023 , Edited by admin on Fri Dec 15 15:57:03 GMT 2023

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PUBCHEM

9935274

Created by admin on Fri Dec 15 15:57:03 GMT 2023 , Edited by admin on Fri Dec 15 15:57:03 GMT 2023

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FDA UNII

TJY190LBT9

Created by admin on Fri Dec 15 15:57:03 GMT 2023 , Edited by admin on Fri Dec 15 15:57:03 GMT 2023

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EPA CompTox

DTXSID2047272

Created by admin on Fri Dec 15 15:57:03 GMT 2023 , Edited by admin on Fri Dec 15 15:57:03 GMT 2023

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