Basic information
- CAS
12264-18-5- Standard SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)O.[Ca+2]- InChIKey
NVTRPRFAWJGJAJ-UHFFFAOYSA-L- Molecular formula
- C10H14CaN2O8
- Average molar mass
- 330.3 g/mol
- Monoisotopic mass
- 330.0376063
Overview
See also: Edetate Disodium (annotation moved to); Edetate Sodium (annotation moved to); Ethylenediaminetetraacetic Acid (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- Edetate Monocalcium
- IUPAC
- calcium 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
- English name
- ETHYLENEDIAMINETETRAACETIC ACID DICALCIUM SALT
- Molecular formula
- C10H13CaN2O8-
- Molecular weight
- 329.3
Names & synonyms
Edetate monocalcium12264-18-5calcium ethylenediaminetetraacetate29C51EJ640ETHYLENEDIAMINETETRAACETIC ACID MONOCALCIUM SALTEDTA monocalcium saltDTXSID90924180Calciate(2-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-kappaO)methyl]glycinato-kappaN,kappaO]](4-)]-, hydrogen (1:2), (OC-6-21)-CHEBI:132317Glycine, N,N'-1,2-ethanediylbis[N-(carboxymethyl)-, calcium salt (1:1)GLYCINE, N,N'-1,2-ETHANEDIYLBIS(N-(CARBOXYMETHYL)-, CALCIUM SALT (1:1)Calciate(2-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, hydrogen (1:2), (OC-6-21)-
Show more names
CALCIUMEDATATEcalciumedtacomplexCALCIUMETHYLENEDIAMINETETRAACETATECALCIUMETHYLENEDIAMINETETRAACETICACIDcalcium dihydrogen ethylenediaminetetraacetate(ethylenedinitrilo)tetra-aceticacicalcium(ii)complexACETICACID,(ETHYLENEDINITRILO)TETRA-,CALCIUMIICOMPLEX((ethylenedinitrilo)tetraacetato)-calciate(2-dihydrogen
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 336
Experimental & physicochemical properties
Human DrugsAntidotes and other substances used in poisonings > Specific
Food Contact SubstancesFCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR
Physicochemical properties
- Indirect Additives used in Food Contact Substances
- CALCIUM ETHYLENEDIAMINETETRAACETATE
- FDA 21 CFR
- 175.105 · 175.105; 176.170
- FDA UNII
- 29 C51EJ640 · 29C51EJ640
- EPA Substance Registry System
- 2 · Calciate(2-), [[N,N'-1,2-ethanediylbis[N-[(carboxy-.kappa.O)methyl]glycinato-.kappa.N,.kappa.O]](4-)]-, dihydrogen, (OC-6-21)- (12264-18-5)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 81.1% (210 of 259) of all reports.
Warning
H315 (17.4%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 259 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Hazard information
Regulatory InformationREACH registered substance: Sodium calcium edetate (EC: 200-529-9)
Hazard Classes and Categories
Skin Irrit. 2 (17.4%)
Not Classified
Chemistry & industry
Pharmacology
ATC CodeV03AB03
Suppliers1 total
Service Chemical Inc.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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