RDEA-806

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H17BrClN4O3S.K
Molecular Weight	595.937
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[K+].[O-]C(=O)C1=CC=C(NC(=O)CSC2=NN=C(Br)N2C3=C4C=CC=CC4=C(C=C3)C5CC5)C(Cl)=C1

InChI

InChIKey=ZVIWEYTXPYNLGB-UHFFFAOYSA-M

InChI=1S/C24H18BrClN4O3S.K/c25-23-28-29-24(34-12-21(31)27-19-9-7-14(22(32)33)11-18(19)26)30(23)20-10-8-15(13-5-6-13)16-3-1-2-4-17(16)20;/h1-4,7-11,13H,5-6,12H2,(H,27,31)(H,32,33);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C24H17BrClN4O3S
Molecular Weight	556.839
Charge	-1
Count

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

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

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

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:46:24 GMT 2023` Edited by `admin` on `Fri Dec 15 18:46:24 GMT 2023`
Record UNII	O98VA4TY38
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RDEA-806

Code

English

BENZOIC ACID, 4-((((5-BROMO-4-(4-CYCLOPROPYL-1-NAPHTHALENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETYL)AMINO)-3-CHLORO-, MONOPOTASSIUM SALT

Systematic Name

English

BENZOIC ACID, 4-((2-((5-BROMO-4-(4-CYCLOPROPYL-1-NAPHTHALENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETYL)AMINO)-3-CHLORO-, POTASSIUM SALT (1:1)

Systematic Name

English

Code System Code Type Description

DRUG BANK

DB05228