CALCIUM DIASPARTATE TRIHYDRATE

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Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C4H5NO4.Ca.2H.3H2O
Molecular Weight	358.313
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CALCIUM DIASPARTATE TRIHYDRATE

Structure Search

SMILES

[H+].[H+].O.O.O.[Ca++].N[C@@H](CC([O-])=O)C([O-])=O.N[C@@H](CC([O-])=O)C([O-])=O

InChI

InChIKey=ZDGBQWHMMCENFS-UBMJGTQTSA-L

InChI=1S/2C4H7NO4.Ca.3H2O/c2*5-2(4(8)9)1-3(6)7;;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;3*1H2/q;;+2;;;/p-2/t2*2-;;;;/m00..../s1

HIDE SMILES / InChI

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

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	C4H5NO4
Molecular Weight	131.0868
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 06:43:29 UTC 2023` Edited by `admin` on `Sat Dec 16 06:43:29 UTC 2023`
Record UNII	09U1335X8K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALCIUM DIASPARTATE TRIHYDRATE

Systematic Name

English

L-ASPARTIC ACID, CALCIUM SALT, HYDRATE (2:1:3)

Common Name

English

ASPARA-CA

Brand Name

English

CALCIUM L-ASPARTATE TRIHYDRATE

Systematic Name

English

CALCIUM L-ASPARTATE HYDRATE [JAN]

Common Name

English

L-ASPARTIC ACID, CALCIUM SALT (2:1), TRIHYDRATE

Common Name

English

CALCIUM L-ASPARTATE HYDRATE

Systematic Name

English

Code System Code Type Description

EVMPD

SUB33471

Created by admin on Sat Dec 16 06:43:30 UTC 2023 , Edited by admin on Sat Dec 16 06:43:30 UTC 2023

PRIMARY

SMS_ID

100000127448

Created by admin on Sat Dec 16 06:43:30 UTC 2023 , Edited by admin on Sat Dec 16 06:43:30 UTC 2023

PRIMARY

ECHA (EC/EINECS)

244-185-8

Created by admin on Sat Dec 16 06:43:30 UTC 2023 , Edited by admin on Sat Dec 16 06:43:30 UTC 2023

PRIMARY

CAS

21059-46-1

Created by admin on Sat Dec 16 06:43:30 UTC 2023 , Edited by admin on Sat Dec 16 06:43:30 UTC 2023

ALTERNATIVE

PUBCHEM

23724805

Created by admin on Sat Dec 16 06:43:30 UTC 2023 , Edited by admin on Sat Dec 16 06:43:30 UTC 2023

PRIMARY

EPA CompTox

DTXSID70209068

Created by admin on Sat Dec 16 06:43:30 UTC 2023 , Edited by admin on Sat Dec 16 06:43:30 UTC 2023

PRIMARY

CAS

603067-18-1

Created by admin on Sat Dec 16 06:43:30 UTC 2023 , Edited by admin on Sat Dec 16 06:43:30 UTC 2023

PRIMARY

FDA UNII

09U1335X8K

Created by admin on Sat Dec 16 06:43:30 UTC 2023 , Edited by admin on Sat Dec 16 06:43:30 UTC 2023

PRIMARY

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