ELUBRIXIN TOSYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H17Cl2FN4O4S.C7H8O3S
Molecular Weight	635.512
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.OC2=C(C(Cl)=CC=C2NC(=O)NC3=CC=CC(F)=C3Cl)S(=O)(=O)N4CCNCC4

InChI

InChIKey=CJAUWWGOABMMJX-UHFFFAOYSA-N

InChI=1S/C17H17Cl2FN4O4S.C7H8O3S/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,21,25H,6-9H2,(H2,22,23,26);2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula	C7H8O3S
Molecular Weight	172.202
Charge	0
Count

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

Molecular Formula	C17H17Cl2FN4O4S
Molecular Weight	463.311
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 `Sat Dec 16 01:36:22 UTC 2023` Edited by `admin` on `Sat Dec 16 01:36:22 UTC 2023`
Record UNII	13FVR7WD4P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ELUBRIXIN TOSYLATE

Official Name

English

ELUBRIXIN TOSILATE

Common Name

English

Elubrixin tosilate [WHO-DD]

Common Name

English

UREA, N-(2-CHLORO-3-FLUOROPHENYL)-N'-(4-CHLORO-2-HYDROXY-3-(1- PIPERAZINYLSULFONYL)PHENYL)-, 4-METHYLBENZENESULFONATE (1:1)

Systematic Name

English

ELUBRIXIN TOSYLATE [USAN]

Common Name

English

SB-656933-AAA

Code

English

Code System Code Type Description

ChEMBL

CHEMBL2178579