DARBUFELONE MESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C18H24N2O2S.CH4O3S
Molecular Weight	428.566
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)\C=C2/SC(=N)NC2=O

InChI

InChIKey=BAZGFSKJAVQJJI-CHHCPSLASA-N

InChI=1S/C18H24N2O2S.CH4O3S/c1-17(2,3)11-7-10(8-12(14(11)21)18(4,5)6)9-13-15(22)20-16(19)23-13;1-5(2,3)4/h7-9,21H,1-6H3,(H2,19,20,22);1H3,(H,2,3,4)/b13-9-;

HIDE SMILES / InChI

Molecular Formula	C18H24N2O2S
Molecular Weight	332.46
Charge	0
Count

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

Molecular Formula	CH4O3S
Molecular Weight	96.106
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 `Fri Dec 15 16:28:11 UTC 2023` Edited by `admin` on `Fri Dec 15 16:28:11 UTC 2023`
Record UNII	5I2Y40C5PX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DARBUFELONE MESYLATE

Official Name

English

DARBUFELONE MESILATE

Common Name

English

5-[(Z)-3,5-Di-tert-butyl-4-hydroxybenzylidene]-2-imino-4-thiazolidinone monomethanesulfonate (salt)

Common Name

English

(Z)-2-AMINO-5-((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYLENE)-4(5H)-THIAZOLONE MONOMETHANESULPHONATE (SALT)

Common Name

English

DARBUFELONE MESYLATE [USAN]

Common Name

English

(Z)-2-AMINO-5-((3,5-BIS(1,1-DIMETHYLETHYL)-4-HYDROXYPHENYL)METHYLENE)-4(5H)-THIAZOLONE MONOMETHANESULFONATE (SALT)

Common Name

English

5-((Z)-3,5-DI-TERT-BUTYL-4-HYDROXYBENZYLIDENE)-2-IMINO-4-THIAZOLIDINONE MONOMETHANESULPHONATE (SALT)

Common Name

English

CI-1004

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1323