Dimebutic Acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H12O2
Molecular Weight	116.1583
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Dimebutic Acid

Structure Search

SMILES

CCC(C)(C)C(O)=O

InChI

InChIKey=VUAXHMVRKOTJKP-UHFFFAOYSA-N

InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)

HIDE SMILES / InChI

Molecular Formula	C6H12O2
Molecular Weight	116.1583
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 02:08:32 UTC 2023` Edited by `admin` on `Sat Dec 16 02:08:32 UTC 2023`
Record UNII	AY606CN05O
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Dimebutic Acid

Official Name

English

NSC-16045

Code

English

NSC-741804

Code

English

2,2-DIMETHYLBUTANOIC ACID

Systematic Name

English

Butanoic acid, 2,2-dimethyl-

Systematic Name

English

Dimebutic acid [INN]

Common Name

English

2,2-DIMETHYLBUTYRIC ACID

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

746120

Created by admin on Sat Dec 16 02:08:32 UTC 2023 , Edited by admin on Sat Dec 16 02:08:32 UTC 2023

FDA ORPHAN DRUG

751020

Created by admin on Sat Dec 16 02:08:32 UTC 2023 , Edited by admin on Sat Dec 16 02:08:32 UTC 2023

Code System Code Type Description

CAS

595-37-9

Created by admin on Sat Dec 16 02:08:32 UTC 2023 , Edited by admin on Sat Dec 16 02:08:32 UTC 2023

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NSC

741804

Created by admin on Sat Dec 16 02:08:32 UTC 2023 , Edited by admin on Sat Dec 16 02:08:32 UTC 2023

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NCI_THESAURUS

C190420

Created by admin on Sat Dec 16 02:08:32 UTC 2023 , Edited by admin on Sat Dec 16 02:08:32 UTC 2023

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ECHA (EC/EINECS)

209-865-0

Created by admin on Sat Dec 16 02:08:32 UTC 2023 , Edited by admin on Sat Dec 16 02:08:32 UTC 2023

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FDA UNII

AY606CN05O

Created by admin on Sat Dec 16 02:08:32 UTC 2023 , Edited by admin on Sat Dec 16 02:08:32 UTC 2023

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CHEBI

38649

Created by admin on Sat Dec 16 02:08:32 UTC 2023 , Edited by admin on Sat Dec 16 02:08:32 UTC 2023

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NSC

16045

Created by admin on Sat Dec 16 02:08:32 UTC 2023 , Edited by admin on Sat Dec 16 02:08:32 UTC 2023

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EPA CompTox

DTXSID0032811

Created by admin on Sat Dec 16 02:08:32 UTC 2023 , Edited by admin on Sat Dec 16 02:08:32 UTC 2023

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INN

12144

Created by admin on Sat Dec 16 02:08:32 UTC 2023 , Edited by admin on Sat Dec 16 02:08:32 UTC 2023

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SMS_ID

100000126089

Created by admin on Sat Dec 16 02:08:32 UTC 2023 , Edited by admin on Sat Dec 16 02:08:32 UTC 2023

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EVMPD

SUB33307

Created by admin on Sat Dec 16 02:08:32 UTC 2023 , Edited by admin on Sat Dec 16 02:08:32 UTC 2023

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PUBCHEM

11684

Created by admin on Sat Dec 16 02:08:32 UTC 2023 , Edited by admin on Sat Dec 16 02:08:32 UTC 2023

PRIMARY

Related Record Type Details


					XKM99SPB5I

SODIUM 2,2-DIMETHYLBUTYRATE

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					AGG2FN16EV

PARENT -> METABOLITE

Qualification:

PLASMA

Amount:

Related Record Type Details


					AY606CN05O

ACTIVE MOIETY

Comments:

treatment of propionic acidemia (PA) and methylmalonic acidemia (MMA)

Amount: