2-(((AMINOTHIOXOMETHYL)AMINO)CARBONYL)-2-ETHYL-3-METHYLHEXANOIC ACID

Details

Stereochemistry	RACEMIC
Molecular Formula	C11H20N2O3S
Molecular Weight	260.353
Optical Activity	( + / - )
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-(((AMINOTHIOXOMETHYL)AMINO)CARBONYL)-2-ETHYL-3-METHYLHEXANOIC ACID

Structure Search

SMILES

CCCC(C)C(CC)(C(O)=O)C(=O)NC(N)=S

InChI

InChIKey=PKVFIUBAYXMQNZ-UHFFFAOYSA-N

InChI=1S/C11H20N2O3S/c1-4-6-7(3)11(5-2,9(15)16)8(14)13-10(12)17/h7H,4-6H2,1-3H3,(H,15,16)(H3,12,13,14,17)

HIDE SMILES / InChI

Molecular Formula	C11H20N2O3S
Molecular Weight	260.353
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:44:05 GMT 2025` Edited by `admin` on `Wed Apr 02 12:44:05 GMT 2025`
Record UNII	U665LH7MMS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-(((AMINOTHIOXOMETHYL)AMINO)CARBONYL)-2-ETHYL-3-METHYLHEXANOIC ACID

Systematic Name

English

2-(CARBAMOTHIOYLCARBAMOYL)-2-ETHYL-3-METHYLHEXANOIC ACID

Preferred Name

English

THIOPENTAL SODIUM IMPURITY D [EP IMPURITY]

Common Name

English

HEXANOIC ACID, 2-(((AMINOTHIOXOMETHYL)AMINO)CARBONYL)-2-ETHYL-3-METHYL-

Systematic Name

English

MALONAMIC ACID, 2-ETHYL-2-(1-METHYLBUTYL)-N-(THIOCARBAMOYL)-

Common Name

English

Code System Code Type Description

CAS

93227-84-0

Created by admin on Wed Apr 02 12:44:05 GMT 2025 , Edited by admin on Wed Apr 02 12:44:05 GMT 2025

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FDA UNII

U665LH7MMS

Created by admin on Wed Apr 02 12:44:05 GMT 2025 , Edited by admin on Wed Apr 02 12:44:05 GMT 2025

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PUBCHEM

155906133

Created by admin on Wed Apr 02 12:44:05 GMT 2025 , Edited by admin on Wed Apr 02 12:44:05 GMT 2025

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Related Record Type Details


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THIOPENTAL SODIUM

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

EP

Amount: