EDETATE CALCIUM DISODIUM TRIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H12N2O8.Ca.2Na.3H2O
Molecular Weight	428.314
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of EDETATE CALCIUM DISODIUM TRIHYDRATE

Structure Search

SMILES

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

InChI

InChIKey=XNLGJDRDNVYESE-UHFFFAOYSA-J

InChI=1S/C10H16N2O8.Ca.2Na.3H2O/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);;;;3*1H2/q;+2;2*+1;;;/p-4

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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	C10H15N2O8
Molecular Weight	291.2347
Charge	-1
Count

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

Molecular Formula	HO
Molecular Weight	17.0073
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 10:05:40 UTC 2023` Edited by `admin` on `Sat Dec 16 10:05:40 UTC 2023`
Record UNII	5M645317UB
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EDETATE CALCIUM DISODIUM TRIHYDRATE

Systematic Name

English

CALCIATE(2-), ((N,N'-1,2-ETHANEDIYLBIS(N-(CARBOXYMETHYL)GLYCINATO))(4-)-N,N',O,O',ON,ON')-, DISODIUM, TRIHYDRATE, (OC-6-21)-

Common Name

English

CALCIUM DISODIUM EDTA TRIHYDRATE

Common Name

English

Classification Tree Code System Code

CFR

21 CFR 172.120