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Details

Stereochemistry ACHIRAL
Molecular Formula C14H13Cl2N3O3S.ClH
Molecular Weight 410.703
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TAK-259 HYDROCHLORIDE

SMILES

Cl.CS(=O)(=O)C1=CC=C(Cl)C=C1CN2C=C(Cl)C=C(C(N)=O)C2=N

InChI

InChIKey=MWQYDDZQXFWUAN-UHFFFAOYSA-N
InChI=1S/C14H13Cl2N3O3S.ClH/c1-23(21,22)12-3-2-9(15)4-8(12)6-19-7-10(16)5-11(13(19)17)14(18)20;/h2-5,7,17H,6H2,1H3,(H2,18,20);1H

HIDE SMILES / InChI

Molecular Formula C14H13Cl2N3O3S
Molecular Weight 374.242
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
1.1 nM [Ki]
Substance Class Chemical
Created
by admin
on Sat Dec 16 11:29:52 GMT 2023
Edited
by admin
on Sat Dec 16 11:29:52 GMT 2023
Record UNII
6RB1YS16TZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TAK-259 HYDROCHLORIDE
Code English
5-CHLORO-1-(5-CHLORO-2-(METHYLSULFONYL)BENZYL)-2-IMINO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE HYDROCHLORIDE
Systematic Name English
3-PYRIDINECARBOXAMIDE, 5-CHLORO-1-((5-CHLORO-2-(METHYLSULFONYL)PHENYL)METHYL)-1,2-DIHYDRO-2-IMINO-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
CAS
1192347-42-4
Created by admin on Sat Dec 16 11:29:52 GMT 2023 , Edited by admin on Sat Dec 16 11:29:52 GMT 2023
PRIMARY
PUBCHEM
66970086
Created by admin on Sat Dec 16 11:29:52 GMT 2023 , Edited by admin on Sat Dec 16 11:29:52 GMT 2023
PRIMARY
FDA UNII
6RB1YS16TZ
Created by admin on Sat Dec 16 11:29:52 GMT 2023 , Edited by admin on Sat Dec 16 11:29:52 GMT 2023
PRIMARY