Calcium 3-hydroxybutyrate

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Details

Stereochemistry	RACEMIC
Molecular Formula	2C4H7O3.Ca
Molecular Weight	246.271
Optical Activity	( + / - )
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Calcium 3-hydroxybutyrate

Structure Search

SMILES

[Ca++].CC(O)CC([O-])=O.CC(O)CC([O-])=O

InChI

InChIKey=OXUQOKIBNYSTGF-UHFFFAOYSA-L

InChI=1S/2C4H8O3.Ca/c2*1-3(5)2-4(6)7;/h2*3,5H,2H2,1H3,(H,6,7);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

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

Molecular Formula	C4H7O3
Molecular Weight	103.0966
Charge	-1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:21:47 GMT 2025` Edited by `admin` on `Wed Apr 02 19:21:47 GMT 2025`
Record UNII	D27C5A6DVR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Calcium 3-hydroxybutyrate

Preferred Name

English

Code System Code Type Description

FDA UNII

D27C5A6DVR

Created by admin on Wed Apr 02 19:21:47 GMT 2025 , Edited by admin on Wed Apr 02 19:21:47 GMT 2025

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SMS_ID

300000017122

Created by admin on Wed Apr 02 19:21:47 GMT 2025 , Edited by admin on Wed Apr 02 19:21:47 GMT 2025

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CAS

586976-56-9

Created by admin on Wed Apr 02 19:21:47 GMT 2025 , Edited by admin on Wed Apr 02 19:21:47 GMT 2025

NON-SPECIFIC STOICHIOMETRY

PUBCHEM

22996905

Created by admin on Wed Apr 02 19:21:47 GMT 2025 , Edited by admin on Wed Apr 02 19:21:47 GMT 2025

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CAS

51899-07-1

Created by admin on Wed Apr 02 19:21:47 GMT 2025 , Edited by admin on Wed Apr 02 19:21:47 GMT 2025

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Related Record Type Details


					TZP1275679

3-HYDROXYBUTYRIC ACID, (±)-

PARENT -> SALT/SOLVATE

Amount: