CRA-0450

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H19Cl2N3O.C6H6O3S
Molecular Weight	570.487
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(=O)(=O)C1=CC=CC=C1.CC2=CC(N3CCC(=CC3)C(N)=O)=C4C=CC=C(C5=CC=C(Cl)C=C5Cl)C4=N2

InChI

InChIKey=KXNWPJLDKSLKSB-UHFFFAOYSA-N

InChI=1S/C22H19Cl2N3O.C6H6O3S/c1-13-11-20(27-9-7-14(8-10-27)22(25)28)18-4-2-3-17(21(18)26-13)16-6-5-15(23)12-19(16)24;7-10(8,9)6-4-2-1-3-5-6/h2-7,11-12H,8-10H2,1H3,(H2,25,28);1-5H,(H,7,8,9)

HIDE SMILES / InChI

Molecular Formula	C6H6O3S
Molecular Weight	158.175
Charge	0
Count

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

Molecular Formula	C22H19Cl2N3O
Molecular Weight	412.312
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 `Mon Mar 31 21:55:19 GMT 2025` Edited by `admin` on `Mon Mar 31 21:55:19 GMT 2025`
Record UNII	0BF7P54LT9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CRA-0450

Common Name

English

R-278995

Preferred Name

English

4-PYRIDINECARBOXAMIDE, 1-(8-(2,4-DICHLOROPHENYL)-2-METHYL-4-QUINOLINYL)-1,2,3,6-TETRAHYDRO-, BENZENESULFONATE (1:1)

Systematic Name

English

4-PYRIDINECARBOXAMIDE, 1-(8-(2,4-DICHLOROPHENYL)-2-METHYL-4-QUINOLINYL)-1,2,3,6-TETRAHYDRO-, MONOBENZENESULFONATE

Systematic Name

English

Code System Code Type Description

PUBCHEM

9829516

Created by admin on Mon Mar 31 21:55:19 GMT 2025 , Edited by admin on Mon Mar 31 21:55:19 GMT 2025

PRIMARY

CAS

694491-71-9

Created by admin on Mon Mar 31 21:55:19 GMT 2025 , Edited by admin on Mon Mar 31 21:55:19 GMT 2025

PRIMARY

FDA UNII

0BF7P54LT9

Created by admin on Mon Mar 31 21:55:19 GMT 2025 , Edited by admin on Mon Mar 31 21:55:19 GMT 2025

PRIMARY

Related Record Type Details


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