UCSF

ZINC19364242

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 20 No

Popular Name: EDTA EDTA

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10378-23-1 , 12558-49-5 , 13235-36-4 , 13254-36-4 , 139-33-3 , 14025-15-1 , 14402-88-1 , 149022-26-4 , 150-38-9 , 15375-84-5 , 15708-41-5 , 15954-95-7 , 17572-97-3 , 194491-31-1 , 203806-08-0 , 20824-56-0 , 23411-34-9 , 25102-12-9 , 304675-80-7 , 39208-15-6 , 60-00-4 , 60-00-4(acid) , 62-33-9 , 6381-92-6 , 64-02-8 , 65501-24-8 , 85715-60-2 , [14402-88-1] , [150-38-9] , [194491-31-1] , [23411-34-9] , [62-02-8] , [62-33-9] , [7379-27-3] , [7379-28-4]

Other Names:

"Ethylenediaminetetraacetic acid dipotassium salt dihydrate, 99%"

"Ethylenediaminetetraacetic acid tripotassium salt dihydrate, 99%"

((Ethylenedinitrilo)tetraacetato)ferrate(2-) disodium; Disodium ((N,N'-ethylenebis(N-(carboxymethyl)glycinato))(4-)-N,N',O,O',ON,ON')ferrate(2-); Disodium ((ethylenedinitrilo)tetraacetato)ferrate(2-); Disodium ferrous EDTA; Disodium ferrous ethylenediamin

(Ethylenedinitrilo)-tetraacetic acid disodium salt; AI3-18049; Acetic acid, (ethylenedinitrilo)tetra-, disodium salt; C10H16N2O8; CBC 50152966; CCRIS 3658; Cheladrate; Chelaplex III; Chelaton 3; Chelaton III; Chelest 200; Chelest B; Clewat N; Complexon II

(Ethylenedinitrilo)tetraacetic acid calcium disodium salt

(ethylenedinitrilo)tetraacetic acid disodium salt; EDTA disodium; EDTA disodium (anh.); EDTA disodium (anhydrous); EDTA disodium salt (anh.); Edetate disodium anhydrous; N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycine], disodium salt; Na2-EDTA; Na2H2EDTA

(Ethylenedinitrilo)tetraacetic acid tetrasodium salt; AI3-17182; Acetic acid, (ethylenedinitrilo)tetra-, tetrasodium salt; Aquamoline BC; Aquamollin; CCRIS 6797; Calsol; Caswell No. 846; Celon E; Celon H; Celon IS; Cheelox BF; Cheelox BF-12; Cheelox BF-13

(ethylenedinitrilo)tetraacetic acid trisodium salt; EDTA trisodium; N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycine] trisodium salt; edetate trisodium; ethylenediaminetetraacetic acid trisodium salt; trisodium ethylenediaminetetraacetate; trisodium salt o

(Ethylenedinitrilo)tetraacetic acid yttrium complex; Acetic acid, (ethylenedinitrilo)tetra-, yttrium complex; LS-12119; Yttrium edetate complex

(ethylenedinitrilo)tetraacetic acid, ion(4-); 2,2',2'',2'''-(ethane-1,2-diyldinitrilo)tetraacetate; Acide ethylenediaminetetracetique; EDTA, ion(4-); edta; ethylenediaminetetraacetate

15708-41-5; D07145; Sodium feredetate (INN); Sytron (TN)

32-046

60-00-4; C00284; EDTA; Edetic acid; Ethylenediaminetetraacetic acid

62-33-9; Calcium disodium versenate (TN); D07934; Edetate calcium disodium

6381-92-6; D01802; Disodium edetate dihydrate; Disodium edetate hydrate (JP16); Edetate disodium (USP); Endrate (TN)

Acetic acid, (ethylenedinitrilo)tetra-, tetraammonium salt; EINECS 245-022-3; Glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl)-, tetraammonium salt; LS-195452; Tetraammonium ethylenediaminetetraacetate

acide edetique; acido edetico; acidum edeticum; edetic acid

Ba 2724; Cobalt ((ethylenedinitrilo)tetraacetato)cobaltate(II); Cobalt (2)-edathamil; Cobalt(2+)((ethylenedinitrilo)tetraacetato)cobaltate(2(-)); Cobalt(2+)((ethylenedinitrilo)tetraacetato)cobaltate(2-); Cobaltate(2-), ((N,N'-1,2-ethanediylbis(N-(carboxym

BAN

bismuthsodiumethylenediaminetetraacetate

CaEDTA

CaEDTA;Calcium Disodium Edetate (JAN);Calcium Disodium Versenate;Calcium disodium versenate (TN);Edetate Calcium;Edetate calcium disodium (USP);EDT;EDTA

Calcium Disodium Edetate

Calcium Disodium Edetate (JAN)

Calcium Disodium Edetate (JAN); Edetate Calcium Disodium (FDA

Calcium Disodium EDTA

Calcium Disodium Versenate

Calcium disodium versenate (TN)

Calcium EDTA

Cerate(1-), ((ethylenedinitrilo)tetraacetato)-; Cerate(1-)-, ((N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycinato))(4-)-N,N',O,O',ON,ON')-, (OC-6-21)-; Cerium EDTA; Cerium edetate; LS-52779

CHEBI:42189; CHEBI:4735; CHEBI:30378

Cheladrate

Copper disodium edta

Copper(II) DisodiuM EthylenediaMinetetraacetate Tetrahydrate

CopperdisodiumEDTA

Diammonium Ethylenediaminetetraacetate Monohydrate

DiaMMoniuMEthylenediaMinetetraacetateMonohydrate

Dihydrogen ((N,N'-ethylenebis(N-(carboxymethyl)glycinato))(4-)-N,N',O,O',ON,ON')manganate(2-); EINECS 259-645-3; LS-89187; Manganate(2-), ((N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycinato))(4-)-N,N',O,O',O(sup N), O(sup N'))-, dihydrogen (OC-6-21)-; Man

Dihydrogen magnesium ethylenediaminetetraacetate

DipotassiuM Dihydrogen EthylenediaMinetetraacetate Dihydrate

DisodiuM Dihydrogen EthylenediaMinetetraacetate Dihydrate

DISODIUM EDTA

Disodium nickel EDTA; Disodium nickel ethylenediaminetetraacetic acid; EDTA nickel disodium salt; LS-96288; NSC 2918; Nickel Disodium EDTA; Nickel disodium ethylenediaminetetraacetic acid; Nickelate(2-), ((N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycinato

disodium [[N,N'-ethylenebis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']cuprate(2-)

DNC000594

Edathamil

Edetate Calcium

Edetate Calcium Disodium

Edetate calcium disodium (USP)

Edetate Dipotassium (USAN)

EDETATE DISODIUM

Edetate Sodium (USAN)

Edetate Trisodium (USAN)

Edetic acid

Edetic Acid (BAN

Edetic Acid (NF

EDT

EDTA Calcium Disodium

EDTA calcium disodium salt

EDTA diammonium salt dihydrate

EDTA dipotassium salt dihydrate

EDTA disodium magnesium salt hydrate

Edta disodium salt

EDTA disodium salt (anhydrous)

EDTA disodium salt dihydrate

EDTA tetrakis(tetramethylammonium) salt

EDTA tetrasodium

EDTA tetrasodium salt dihydrate

EDTA tetrasodium salt hydrate

EDTA tripotassium salt

EDTA tripotassium salt dihydrate

EDTA trisodium salt

EDTA trisodium salt hydrate

EDTA [60-00-4]; (Ethylenediaminetetraacetic acid)

EDTA-2K

EDTA-3K

EDTA; ethylenediaminetetraacetate; ethylenediaminetetraacetic acid

EDTA; [60-00-4]

Edthamil

EINECS 262-286-5; Ethylenediaminetetraacetic acid, mono(triethanolamine) salt; Glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl)-, compd. with 2,2',2; Glycine, N,N'-1,2-ethanediylbis(N-(carboxymethyl)-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1); LS-

Endrate

Ethylenediamine tetraacetic acid tetrasodium salt dihydrate

ethylenediaminetetraacetatonickelate(2-)

Ethylenediaminetetraacetic acid

Ethylenediaminetetraacetic acid (trisodium salt)

Ethylenediaminetetraacetic acid calcium disodium salt

Ethylenediaminetetraacetic acid calcium disodium salt hydrate

Ethylenediaminetetraacetic acid diammonium salt hydrate

Ethylenediaminetetraacetic acid dipotassium salt dihydrate

Ethylenediaminetetraacetic acid dipotassium salt dihydrate, 99%

Ethylenediaminetetraacetic acid disodium calcium salt

Ethylenediaminetetraacetic acid disodium calcium salt, 99%+

Ethylenediaminetetraacetic acid disodium magnesium salt hydrate

Ethylenediaminetetraacetic acid disodium salt dihydrate

Ethylenediaminetetraacetic acid disodium salt dihydrate, 99+%

Ethylenediaminetetraacetic acid disodium salt dihydrate, ACS

Ethylenediaminetetraacetic acid disodium salt dihydrate, ACS, 99.0-101.0%

Ethylenediaminetetraacetic acid magnesium disodium salt

Ethylenediaminetetraacetic acid manganese disodium salt hydrate

Ethylenediaminetetraacetic acid tetrakis(tetramethylammonium) salt, 30% w/v aq. soln.

Ethylenediaminetetraacetic acid tetrasodium salt hydrate

Ethylenediaminetetraacetic Acid Tetrasodium Salt2-Hydrate

Ethylenediaminetetraacetic acid tripotassium salt

Ethylenediaminetetraacetic acid tripotassium salt dihydrate

Ethylenediaminetetraacetic acid tripotassium salt dihydrate, 99%

Ethylenediaminetetraacetic acid trisodium salt

Ethylenediaminetetraacetic acid trisodium salt dihydrate

Ethylenediaminetetraacetic acid trisodium salt hydrate

Ethylenediaminetetraacetic acid trisodium salt hydrate, 95%

Ethylenediaminetetraacetic acid trisodium salt hydrate, 99%

Ethylenediaminetetraacetic acid, 99%

Ethylenediaminetetraacetic acid, 99%, pure

Ethylenediaminetetraacetic acid, 99.5%, ACS reagent

Ethylenediaminetetraacetic acid, ACS

Ethylenediaminetetraacetic acid, ACS, 99.4+%

Ethylenediaminetetraacetic acid, dipotassium salt dihydrate, 99%, extra pure

Ethylenediaminetetraacetic acid, iron(III) monosodium salt

Ethylenediaminetetraacetic acid, tripotassium salt dihydrate, 99+%

Ethylenediaminetetraacetic-d12acid

EthylenediaminetetraaceticAcid

EthylenediaminetetraaceticacidcalciumDisodiumsalthydrate

Ethylenediaminetetraaceticacidiron(III)sodiumsalthydrate

Havidote

INN

INN)

INN); Piperazine Edetate Calcium (USAN); Edetate Trisodium (USAN)

JAN)

JAN); Edetate Dipotassium (USAN); Edetate Sodium (USAN); Piperazine Adipate (JAN); Piperazine Calcium Edetate (BAN

JAN); Edetate Disodium (FDA

LIMCLAIR

LS-148704; Terbate(1-), (N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycinato))(4-)-N,N',O,O',O(sup N), O(sup N')-; Terbium edetate

LS-153766; Thulate(1-), ((N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycinato))(4-), hydrogen; Thulium edetate

LS-24684

LS-64277

LS-75880

LS-87583

MFCD00003541

MFCD00012460

MFCD00013304

MFCD00013305

MFCD00054418

MFCD00070672

MFCD00078215

MFCD00078217

MFCD00148919

MFCD00149453

MFCD00149672

MFCD00149675

MFCD00149685

MFCD00150025

MFCD00150026

MFCD00150027

MFCD00150036

MFCD00150037

MFCD00150463

MFCD00467673

MFCD00661156

MFCD01632148

MFCD03939053

N,N'-Ethylenebis[N-(carboxymethyl)aminoacetic] acid potassium salt

N/A

NA

NF)

NF); Disodium Edetate (BAN

Potassium 2,2'-((2-((carboxylatomethyl)(carboxymethyl)amino)ethyl)azanediyl)diacetate

Sodium 2,2',2'',2'''-(ethane-1,2-diylbis(azanetriyl))tetraacetate

Sodium 2,2'-((2-(bis(carboxymethyl)amino)ethyl)azanediyl)diacetate dihydrate

Sodium Calcium Edetate

Sodium Calciumedetate

Sodium N,N'-ethane-1,2-diyl-bis[N-(carboxymethyl)glycinate]

Tetrakis(tetramethylammonium) ethylenediaminetetraacetate

TetrasodiuM EthylenediaMinetetraacetate Dihydrate

TetrasodiuM EthylenediaMinetetraacetate Tetrahydrate

TETRASODIUM SALT OF EDTA TETRA HYDRATE

Titriplex

Tripotassium hydrogen ethylenediaminetetraacetate

Tripotassiumhydrogenethylenediaminetetraacetate

trisodium ethylenediamine tetracetate

TrisodiuMHydrogenEthylenediaMinetetraacetateHydrate

USAN

USAN); Sodium Calcium Edetate (BAN

USP

USP); Calcium Disodium Edetate (JAN); Edetate Calcium Disodium (FDA

USP); Sodium Calcium Edetate (BAN

USP); Sodium Calciumedetate (BAN

Versenate

Versene CA

[Ni(edta)](2-); [NiEdta](2-)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.19 5.16 -173.62 1 10 -3 168 289.22 11 ↓
Mid Mid (pH 6-8) -5.19 7.16 -108 2 10 -2 169 290.228 11 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 220 Acros Organics
Melting_Point 248? dec. Alfa-Aesar
MP 248o C Indofine
Melting_Point 248° dec. Alfa-Aesar
M.P 250 °C Indofine
Mp [°C] 272 Acros Organics
SOLUBILITY 3 M NaOH: 100 mg/mL Indofine
UniProt Database Links 3BHS_MYCTU; 3HAPM_CUPPJ; 3XYN1_VIBSX; 3XYN2_VIBSX; 3XYN_ALCSP; 4HBT_PSEUC; 6HN3M_PSEFL; A1HA_LOXIN; AAM_RHOER; ACE2_HUMAN; ACE2_RAT; ACKA_SALTY; ADH4_YEAS7; ADH4_YEAST; AGAL_BACTN; AGLA_THEMA; AGLA_THENE; AGLB_THEMA; AGLB_THENE; AGO2_HUMAN; AGTA_DICDI; AH ChEBI
ALOGPS_SOLUBILITY 9.26e+00 g/l DrugBank-approved
Purity 95% Fluorochem
Purity 99% Fluorochem
Melting_Point >300? Alfa-Aesar
MP >300° Oakwood Chemical
Melting_Point ca 182? dec. Alfa-Aesar
Melting_Point ca 182° dec. Alfa-Aesar
Melting_Point ca 245? dec. Alfa-Aesar
Melting_Point ca 245° dec. Alfa-Aesar
Melting_Point ca 272? dec. Alfa-Aesar
Melting_Point ca 272° dec. Alfa-Aesar
therap chelating agent MicroSource US Drugs
Therapy chelating agent, antioxidant SMDC MicroSource
Patent Database Links EP0842936; EP0950660; EP1026156; EP1151997; EP1302465; EP1356813; EP1369134; EP1488789; EP1495751; EP1502595; EP1516932; EP1522312; EP1527770; EP1537876; EP1559431; EP1563844; EP1570850; EP1570851; EP1574203; EP1576951; EP1579860; EP1595537; EP1607407; EP ChEBI
H phrase H319: Causes serious eye irritation Acros Organics
H phrase H319: Causes serious eye irritation; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
H phrase H319: Causes serious eye irritation; H332: Harmful if inhaled Acros Organics
H phrase H335: May cause respiratory irritation Acros Organics
H phrase H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling Acros Organics
P phrase P264: Wash face, hands and any exposed skin thoroughly after handling; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, Acros Organics
R phrase R20: Harmful by inhalation. Acros Organics
R phrase R20: Harmful by inhalation.; R36: Irritating to eyes. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39: Wear suitable gloves and eye/face protection. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S46: If swallowed, seek medical advice immediately and show this container or label. Acros Organics
Hazard XI: Irritant Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9XAY4-1-B Beta-lactamase VIM-1 (cluster #1 Of 1), Bacterial Bacteria 9300 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9XAY4_PSEAI Q9XAY4 Beta-lactamase VIM-1, Pseai 9300 0.35 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )