CALCIUM QUINATE GLUCONATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C7H11O6.C6H11O7.Ca
Molecular Weight	426.384
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C([O-])=O.O[C@@H]1C[C@@](O)(C[C@@H](O)[C@H]1O)C([O-])=O

InChI

InChIKey=WMTXJJATAGXRNR-QGDRMQCYSA-L

InChI=1S/C7H12O6.C6H12O7.Ca/c8-3-1-7(13,6(11)12)2-4(9)5(3)10;7-1-2(8)3(9)4(10)5(11)6(12)13;/h3-5,8-10,13H,1-2H2,(H,11,12);2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2/t3-,4-,5-,7+;2-,3-,4+,5-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	C6H12O7
Molecular Weight	196.1553
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

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	C7H10O6
Molecular Weight	190.1507
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:19:59 UTC 2023` Edited by `admin` on `Fri Dec 15 15:19:59 UTC 2023`
Record UNII	KWI1NH797Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM QUINATE GLUCONATE

Common Name

English

Code System Code Type Description

CAS

12261-92-6

Created by admin on Fri Dec 15 15:19:59 UTC 2023 , Edited by admin on Fri Dec 15 15:19:59 UTC 2023

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FDA UNII

KWI1NH797Q

Created by admin on Fri Dec 15 15:19:59 UTC 2023 , Edited by admin on Fri Dec 15 15:19:59 UTC 2023

PRIMARY

EPA CompTox

DTXSID40924216

Created by admin on Fri Dec 15 15:19:59 UTC 2023 , Edited by admin on Fri Dec 15 15:19:59 UTC 2023

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