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Details

Stereochemistry ABSOLUTE
Molecular Formula C4H5NO4.Mg.ClH.3H2O
Molecular Weight 245.899
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MAGNESIUM ASPARTATE HYDROCHLORIDE TRIHYDRATE

SMILES

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

InChI

InChIKey=BBRFANCCCAUJFS-PUAMRSTPSA-L
InChI=1S/C4H7NO4.ClH.Mg.3H2O/c5-2(4(8)9)1-3(6)7;;;;;/h2H,1,5H2,(H,6,7)(H,8,9);1H;;3*1H2/q;;+2;;;/p-2/t2-;;;;;/m0...../s1

HIDE SMILES / InChI
Molecular Formula Mg
Molecular Weight 24.305
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
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 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

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 21:39:35 UTC 2023
Edited
by admin
on Fri Dec 15 21:39:35 UTC 2023
Record UNII
B06NP3KG40
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MAGNESIUM ASPARTATE HYDROCHLORIDE TRIHYDRATE
Systematic Name English
MAGNESIUM L-ASPARTATE HYDROCHLORIDE TRIHYDRATE
Common Name English
MAGNESATE(1-), TRIAQUA(L-ASPARTATO(2-)-O1,O4)CHLORO-, (OC-6-44)-
Common Name English
Code System Code Type Description
EVMPD
SUB14416MIG
Created by admin on Fri Dec 15 21:39:35 UTC 2023 , Edited by admin on Fri Dec 15 21:39:35 UTC 2023
PRIMARY
CAS
91198-22-0
Created by admin on Fri Dec 15 21:39:35 UTC 2023 , Edited by admin on Fri Dec 15 21:39:35 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
769877-81-8
Created by admin on Fri Dec 15 21:39:35 UTC 2023 , Edited by admin on Fri Dec 15 21:39:35 UTC 2023
ALTERNATIVE
SMS_ID
100000153497
Created by admin on Fri Dec 15 21:39:35 UTC 2023 , Edited by admin on Fri Dec 15 21:39:35 UTC 2023
PRIMARY
FDA UNII
B06NP3KG40
Created by admin on Fri Dec 15 21:39:35 UTC 2023 , Edited by admin on Fri Dec 15 21:39:35 UTC 2023
PRIMARY
PUBCHEM
18634305
Created by admin on Fri Dec 15 21:39:35 UTC 2023 , Edited by admin on Fri Dec 15 21:39:35 UTC 2023
PRIMARY
Related Record Type Details
Structure of MAGNESIUM ASPARTATE HYDROCHLORIDE
ANHYDROUS->SOLVATE
Structure of ASPARTIC ACID
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of MAGNESIUM CATION
ACTIVE MOIETY
Structure of ASPARTIC ACID
ACTIVE MOIETY
NIH
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