KUS-121 dihydrate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H16FN4O3S.Na.2H2O
Molecular Weight	494.471
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.[Na+].CC1=CC(F)=CC=C1C2=CC=C(C=N2)\N=N\C3=CC(=C4C=CC=CC4=C3N)S([O-])(=O)=O

InChI

InChIKey=XQCRGFXGQWMWGH-DTBIJOOYSA-M

InChI=1S/C22H17FN4O3S.Na.2H2O/c1-13-10-14(23)6-8-16(13)19-9-7-15(12-25-19)26-27-20-11-21(31(28,29)30)17-4-2-3-5-18(17)22(20)24;;;/h2-12H,24H2,1H3,(H,28,29,30);;2*1H2/q;+1;;/p-1/b27-26+;;;

HIDE SMILES / InChI

Molecular Formula	C22H16FN4O3S
Molecular Weight	435.451
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
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 `Wed Apr 02 15:25:40 GMT 2025` Edited by `admin` on `Wed Apr 02 15:25:40 GMT 2025`
Record UNII	79A6RUR6P3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KUS-121 dihydrate

Code

English

KUS121 dihydrate

Preferred Name

English

1-Naphthalenesulfonic acid, 4-amino-3-[(1E)-2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]diazenyl]-, sodium salt, hydrate (1:1:2)

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

873422