CE-178,253 BENZENESULFONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H23Cl2N7O.C6H6O3S
Molecular Weight	654.567
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CE-178,253 BENZENESULFONATE

Structure Search

SMILES

OS(=O)(=O)C1=CC=CC=C1.CCNC2(CN(C2)C3=NC(C)=NC4=C(C(=NN34)C5=CC=CC=C5Cl)C6=CC=C(Cl)C=C6)C(N)=O

InChI

InChIKey=PUVYOZFJBITEFT-UHFFFAOYSA-N

InChI=1S/C24H23Cl2N7O.C6H6O3S/c1-3-28-24(22(27)34)12-32(13-24)23-30-14(2)29-21-19(15-8-10-16(25)11-9-15)20(31-33(21)23)17-6-4-5-7-18(17)26;7-10(8,9)6-4-2-1-3-5-6/h4-11,28H,3,12-13H2,1-2H3,(H2,27,34);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	C24H23Cl2N7O
Molecular Weight	496.392
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 17:57:26 GMT 2025` Edited by `admin` on `Mon Mar 31 17:57:26 GMT 2025`
Record UNII	D10J0RC2EG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CE 178253 BENZENESULFONATE

Preferred Name

English

CE-178,253 BENZENESULFONATE

Common Name

English

3-AZETIDINECARBOXAMIDE, 1-(7-(2-CHLOROPHENYL)-8-(4-CHLOROPHENYL)-2-METHYLPYRAZOLO(1,5-A)-1,3,5-TRIAZIN-4-YL)-3-(ETHYLAMINO)-, BENZENESULFONATE (1:1)

Systematic Name

English

CE-178253 BENZENESULFONATE

Code

English

Code System Code Type Description

PUBCHEM

25230239

Created by admin on Mon Mar 31 17:57:26 GMT 2025 , Edited by admin on Mon Mar 31 17:57:26 GMT 2025

PRIMARY

EPA CompTox

DTXSID30241904

Created by admin on Mon Mar 31 17:57:26 GMT 2025 , Edited by admin on Mon Mar 31 17:57:26 GMT 2025

PRIMARY

FDA UNII

D10J0RC2EG

Created by admin on Mon Mar 31 17:57:26 GMT 2025 , Edited by admin on Mon Mar 31 17:57:26 GMT 2025

PRIMARY

CAS

956246-95-0

Created by admin on Mon Mar 31 17:57:26 GMT 2025 , Edited by admin on Mon Mar 31 17:57:26 GMT 2025

PRIMARY

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