KEGG   DRUG: Edetate disodium
Entry
D01802                      Drug                                   
Name
Edetate disodium (USP);
Disodium edetate hydrate (JP18);
Disodium edetate dihydrate;
Endrate (TN)
Formula
C10H14N2O8. 2Na. 2H2O
Exact mass
372.0757
Mol weight
372.2369
Structure
Simcomp
Class
Vitamin and mineral
 DG01692  Chelator
Remark
ATC code: S01XA05 V03AB03
Chemical structure group: DG01152
Product (DG01152): D03943<JP/US>
Efficacy
Chelating agent (metal)
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01X OTHER OPHTHALMOLOGICALS
    S01XA Other ophthalmologicals
     S01XA05 Sodium edetate
      D01802  Edetate disodium (USP)
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AB Antidotes
     V03AB03 Edetates
      D01802  Edetate disodium (USP)
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01152  Edetate
    D01802  Edetate disodium
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01802  Disodium edetate hydrate
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01152  Edetate
Other DBs
CAS: 6381-92-6
PubChem: 7848864
ChEBI: 64758
LigandBox: D01802
NIKKAJI: J209.294H J578.979F
KCF data

ATOM        24
            1   N1c N    25.8300  -21.3500
            2   C1b C    27.0200  -20.6500
            3   C1b C    24.6400  -20.6500
            4   C1b C    25.8300  -22.7500
            5   C1b C    28.2100  -21.3500
            6   C6a C    24.6400  -19.2500
            7   C6a C    24.6400  -23.4500
            8   N1c N    29.4000  -20.6500
            9   O6a O    23.3800  -18.5500
            10  O6a O    25.8300  -18.5500
            11  O6a O    24.6400  -25.0600 #-
            12  O6a O    23.3800  -22.7500
            13  C1b C    30.6600  -21.3500
            14  C1b C    29.4000  -19.2500
            15  C6a C    30.6600  -22.7500
            16  C6a C    30.6600  -18.5500
            17  O6a O    31.8500  -23.4500
            18  O6a O    29.4000  -23.4500
            19  O6a O    31.8500  -19.2500 #-
            20  O6a O    30.6600  -17.2200
            21  Z   Na   33.7400  -19.1800 #+
            22  Z   Na   21.4795  -24.9835 #+
            23  O0  O    36.7500  -22.2600
            24  O0  O    36.7500  -23.8000
BOND        19
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     6   9 1
            9     6  10 2
            10    7  11 1
            11    7  12 2
            12    8  13 1
            13    8  14 1
            14   13  15 1
            15   14  16 1
            16   15  17 1
            17   15  18 2
            18   16  19 1
            19   16  20 2

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Ontology (3)   
   KEGG BRITE (3)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (4)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (2)   
All databases (10)   

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