CALCIUM FRUCTOBORATE

Possibly Marketed Outside US

First approved in 2022

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C12H20BO12.Ca
Molecular Weight	774.26
Optical Activity	UNSPECIFIED
Defined Stereocenters	16 / 16
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].[H][C@@]12O[B-]3(O[C@@]4([H])[C@H](O)[C@@H](CO)O[C@@]4(CO)O3)O[C@]1(CO)O[C@H](CO)[C@H]2O.[H][C@@]56O[B-]7(O[C@@]8([H])[C@H](O)[C@@H](CO)O[C@@]8(CO)O7)O[C@]5(CO)O[C@H](CO)[C@H]6O

InChI

InChIKey=HRSMKOBEJUELDV-XBNRZDKMSA-N

InChI=1S/2C12H20BO12.Ca/c2*14-1-5-7(18)9-11(3-16,20-5)24-13(22-9)23-10-8(19)6(2-15)21-12(10,4-17)25-13;/h2*5-10,14-19H,1-4H2;/q2*-1;+2/t2*5-,6-,7-,8-,9+,10+,11+,12+,13?;/m11./s1

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	C12H20BO12
Molecular Weight	367.091
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:30:14 UTC 2023` Edited by `admin` on `Sat Dec 16 16:30:14 UTC 2023`
Record UNII	7EW2EZ38LS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM FRUCTOBORATE

Official Name

English

Calcium fructoborate [WHO-DD]

Common Name

English

BORATE(1-), BIS(.BETA.-D-FRUCTOFURANOSATO(2-)-.KAPPA.O2,.KAPPA.O3)-, CALCIUM (2:1), (T-4)-

Systematic Name

English

Code System Code Type Description

CAS

250141-42-5