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Details

Stereochemistry ACHIRAL
Molecular Formula C10H14N2O8.Ca
Molecular Weight 330.305
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Edetate monocalcium

SMILES

[Ca++].OC(=O)CN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O

InChI

InChIKey=NVTRPRFAWJGJAJ-UHFFFAOYSA-L
InChI=1S/C10H16N2O8.Ca/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+2/p-2

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 C10H13N2O8
Molecular Weight 289.2188
Charge -3
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 Mon Mar 31 22:00:19 GMT 2025
Edited
by admin
on Mon Mar 31 22:00:19 GMT 2025
Record UNII
29C51EJ640
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Calciate(2-), [[N,N?-1,2-ethanediylbis[N-[(carboxy-?O)methyl]glycinato-?N,?O]](4-)]-, hydrogen (1:2), (OC-6-21)-
Preferred Name English
Edetate monocalcium
Systematic Name English
Ethylenediaminetetraacetic acid monocalcium salt
Systematic Name English
Glycine, N,N?-1,2-ethanediylbis[N-(carboxymethyl)-, calcium salt (1:1)
Systematic Name English
Calcium ethylenediaminetetraacetate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID901035102
Created by admin on Mon Mar 31 22:00:19 GMT 2025 , Edited by admin on Mon Mar 31 22:00:19 GMT 2025
PRIMARY
PUBCHEM
25544
Created by admin on Mon Mar 31 22:00:19 GMT 2025 , Edited by admin on Mon Mar 31 22:00:19 GMT 2025
PRIMARY
ECHA (EC/EINECS)
235-534-5
Created by admin on Mon Mar 31 22:00:19 GMT 2025 , Edited by admin on Mon Mar 31 22:00:19 GMT 2025
PRIMARY
FDA UNII
29C51EJ640
Created by admin on Mon Mar 31 22:00:19 GMT 2025 , Edited by admin on Mon Mar 31 22:00:19 GMT 2025
PRIMARY
CHEBI
132317
Created by admin on Mon Mar 31 22:00:19 GMT 2025 , Edited by admin on Mon Mar 31 22:00:19 GMT 2025
PRIMARY
CAS
12264-18-5
Created by admin on Mon Mar 31 22:00:19 GMT 2025 , Edited by admin on Mon Mar 31 22:00:19 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE