KEGG   DRUG: Disodium edetate
Entry
D03945                      Drug                                   
Name
Disodium edetate;
Edetate disodium anhydrous;
Disodium edetate (TN);
Endrate (TN)
Formula
C10H14N2O8. 2Na
Exact mass
336.0546
Mol weight
336.2063
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
      D03945  Disodium edetate
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AB Antidotes
     V03AB03 Edetates
      D03945  Disodium edetate
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01152  Edetate
    D03945  Disodium edetate
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01152  Edetate
Other DBs
CAS: 139-33-3
PubChem: 51091232
ChEBI: 64734
LigandBox: D03945
NIKKAJI: J37.279J
KCF data

ATOM        22
            1   N1c N    24.2900  -21.4200
            2   C1b C    25.4800  -20.7200
            3   C1b C    23.1000  -20.7200
            4   C1b C    24.2900  -22.8200
            5   C1b C    26.6700  -21.4200
            6   C6a C    23.1000  -19.3200
            7   C6a C    23.1000  -23.5200
            8   N1c N    27.8600  -20.7200
            9   O6a O    21.9100  -18.6200
            10  O6a O    24.2900  -18.6200
            11  O6a O    23.1000  -25.0600 #-
            12  O6a O    21.9100  -22.8200
            13  C1b C    29.1200  -21.4200
            14  C1b C    27.8600  -19.3200
            15  C6a C    29.1200  -22.8200
            16  C6a C    29.1200  -18.6200
            17  O6a O    30.3100  -23.5200
            18  O6a O    27.8600  -23.5200
            19  O6a O    30.3100  -19.3200 #-
            20  O6a O    29.1200  -17.2900
            21  Z   Na   32.2000  -19.2500 #+
            22  Z   Na   20.0200  -24.9900 #+
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 (2)   
   KEGG BRITE (2)   
Drug (3)   
   KEGG DGROUP (1)   
   LigandBox (1)   
   SIDER (1)   
Chemical substance (3)   
   PubChem (1)   
   ChEBI (1)   
   NIKKAJI (1)   
All databases (8)   

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