U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H12N2O8.Ca.2H
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

[H+].[H+].[Ca++].[O-]C(=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 C10H12N2O8
Molecular Weight 288.2109
Charge -4
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 H
Molecular Weight 1.0079
Charge 1
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 Sat Dec 16 08:19:22 UTC 2023
Edited
by admin
on Sat Dec 16 08:19:22 UTC 2023
Record UNII
29C51EJ640
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EDETATE MONOCALCIUM
Systematic Name English
CALCIATE(2-), ((N,N'-1,2-ETHANEDIYLBIS(N-((CARBOXY-.KAPPA.O)METHYL)GLYCINATO-.KAPPA.N,.KAPPA.O))(4-))-, HYDROGEN (1:2), (OC-6-21)-
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 Sat Dec 16 08:19:23 UTC 2023 , Edited by admin on Sat Dec 16 08:19:23 UTC 2023
PRIMARY
PUBCHEM
25544
Created by admin on Sat Dec 16 08:19:23 UTC 2023 , Edited by admin on Sat Dec 16 08:19:23 UTC 2023
PRIMARY
ECHA (EC/EINECS)
235-534-5
Created by admin on Sat Dec 16 08:19:23 UTC 2023 , Edited by admin on Sat Dec 16 08:19:23 UTC 2023
PRIMARY
FDA UNII
29C51EJ640
Created by admin on Sat Dec 16 08:19:23 UTC 2023 , Edited by admin on Sat Dec 16 08:19:23 UTC 2023
PRIMARY
CHEBI
132317
Created by admin on Sat Dec 16 08:19:23 UTC 2023 , Edited by admin on Sat Dec 16 08:19:23 UTC 2023
PRIMARY
CAS
12264-18-5
Created by admin on Sat Dec 16 08:19:23 UTC 2023 , Edited by admin on Sat Dec 16 08:19:23 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE