SODIUM 2,2-DIMETHYLBUTYRATE

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Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H11O2.Na
Molecular Weight	138.1401
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 2,2-DIMETHYLBUTYRATE

Structure Search

SMILES

[Na+].CCC(C)(C)C([O-])=O

InChI

InChIKey=OOPXYEYPPHJHSE-UHFFFAOYSA-M

InChI=1S/C6H12O2.Na/c1-4-6(2,3)5(7)8;/h4H2,1-3H3,(H,7,8);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C6H11O2
Molecular Weight	115.1503
Charge	-1
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
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 `Fri Dec 15 16:30:27 UTC 2023` Edited by `admin` on `Fri Dec 15 16:30:27 UTC 2023`
Record UNII	XKM99SPB5I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SODIUM 2,2-DIMETHYLBUTYRATE

Systematic Name

English

HQK-1001

Code

English

Dimebutate sodium

Common Name

English

SODIUM 2,2-DIMETHYLBUTANOATE

Systematic Name

English

2,2-DIMETHYLBUTYRIC ACID, SODIUM SALT

Common Name

English

BUTANOIC ACID, 2,2-DIMETHYL-, SODIUM SALT

Common Name

English

SDMB

Common Name

English

SODIUM 2,2 DIMETHYLBUTYRATE

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

265108

Created by admin on Fri Dec 15 16:30:27 UTC 2023 , Edited by admin on Fri Dec 15 16:30:27 UTC 2023

EU-Orphan Drug

EU/3/09/621

Created by admin on Fri Dec 15 16:30:27 UTC 2023 , Edited by admin on Fri Dec 15 16:30:27 UTC 2023

FDA ORPHAN DRUG

259608

Created by admin on Fri Dec 15 16:30:27 UTC 2023 , Edited by admin on Fri Dec 15 16:30:27 UTC 2023

Code System Code Type Description

CAS

3934-02-9

Created by admin on Fri Dec 15 16:30:27 UTC 2023 , Edited by admin on Fri Dec 15 16:30:27 UTC 2023

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PUBCHEM

53247304

Created by admin on Fri Dec 15 16:30:27 UTC 2023 , Edited by admin on Fri Dec 15 16:30:27 UTC 2023

PRIMARY

SMS_ID

100000178199

Created by admin on Fri Dec 15 16:30:27 UTC 2023 , Edited by admin on Fri Dec 15 16:30:27 UTC 2023

PRIMARY

EVMPD

SUB193821

Created by admin on Fri Dec 15 16:30:27 UTC 2023 , Edited by admin on Fri Dec 15 16:30:27 UTC 2023

PRIMARY

FDA UNII

XKM99SPB5I

Created by admin on Fri Dec 15 16:30:27 UTC 2023 , Edited by admin on Fri Dec 15 16:30:27 UTC 2023

PRIMARY

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					AY606CN05O

ACTIVE MOIETY

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