CALCIUM MANDELATE

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NCATS

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First approved in 1940

Details

Stereochemistry	RACEMIC
Molecular Formula	2C8H7O3.Ca
Molecular Weight	342.357
Optical Activity	( + / - )
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CALCIUM MANDELATE

Structure Search

SMILES

[Ca++].OC(C([O-])=O)C1=CC=CC=C1.OC(C([O-])=O)C2=CC=CC=C2

InChI

InChIKey=GCXSYHGQGJCRRW-UHFFFAOYSA-L

InChI=1S/2C8H8O3.Ca/c2*9-7(8(10)11)6-4-2-1-3-5-6;/h2*1-5,7,9H,(H,10,11);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula	C8H7O3
Molecular Weight	151.1394
Charge	-1
Count

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

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:17:20 UTC 2023` Edited by `admin` on `Fri Dec 15 15:17:20 UTC 2023`
Record UNII	29CS07FZII
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM MANDELATE

Common Name

English

Mandelate calcium [WHO-DD]

Common Name

English

MANDELATE CALCIUM

Common Name

English

MANDELIC ACID CALCIUM SALT [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C255

Created by admin on Fri Dec 15 15:17:20 UTC 2023 , Edited by admin on Fri Dec 15 15:17:20 UTC 2023

Code System Code Type Description

MERCK INDEX

m7051

Created by admin on Fri Dec 15 15:17:20 UTC 2023 , Edited by admin on Fri Dec 15 15:17:20 UTC 2023

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Merck Index

PUBCHEM

8654

Created by admin on Fri Dec 15 15:17:20 UTC 2023 , Edited by admin on Fri Dec 15 15:17:20 UTC 2023

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EVMPD

SUB14461MIG

Created by admin on Fri Dec 15 15:17:20 UTC 2023 , Edited by admin on Fri Dec 15 15:17:20 UTC 2023

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ChEMBL

CHEMBL2104215

Created by admin on Fri Dec 15 15:17:20 UTC 2023 , Edited by admin on Fri Dec 15 15:17:20 UTC 2023

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NCI_THESAURUS

C77069

Created by admin on Fri Dec 15 15:17:20 UTC 2023 , Edited by admin on Fri Dec 15 15:17:20 UTC 2023

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ECHA (EC/EINECS)

205-165-4

Created by admin on Fri Dec 15 15:17:20 UTC 2023 , Edited by admin on Fri Dec 15 15:17:20 UTC 2023

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EPA CompTox

DTXSID30928384

Created by admin on Fri Dec 15 15:17:20 UTC 2023 , Edited by admin on Fri Dec 15 15:17:20 UTC 2023

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FDA UNII

29CS07FZII

Created by admin on Fri Dec 15 15:17:20 UTC 2023 , Edited by admin on Fri Dec 15 15:17:20 UTC 2023

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CAS

134-95-2

Created by admin on Fri Dec 15 15:17:20 UTC 2023 , Edited by admin on Fri Dec 15 15:17:20 UTC 2023

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SMS_ID

100000076501

Created by admin on Fri Dec 15 15:17:20 UTC 2023 , Edited by admin on Fri Dec 15 15:17:20 UTC 2023

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