KEGG   DRUG: Edetate calcium disodium
Entry
D03943                      Drug                                   
Name
Edetate calcium disodium (USP);
Calcium sodium edetate hydrate (JP18);
Sodium calcium edetate (INN);
Calcium disodium edetate hydrate;
Edetate calcium disodium;
Calcium disodium versenate (TN)
Product
  Generic
Formula
C10H12N2O8. 2Na. Ca. xH2O
Structure
Simcomp
Class
Vitamin and mineral
 DG01692  Chelator
Remark
Therapeutic category: 3921
ATC code: V03AB03
Chemical structure group: DG01152
Product (DG01152): D03943<JP/US>
Efficacy
Antidote (lead), Chelating agent (metal)
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AB Antidotes
     V03AB03 Edetates
      D03943  Edetate calcium disodium (USP) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   392  Antidotes
    3921  EDTAs
     D03943  Edetate calcium disodium (USP); Calcium sodium edetate hydrate (JP18); Sodium calcium edetate (INN)
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01152  Edetate
    D03943  Edetate calcium disodium
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D03943  Calcium sodium edetate hydrate
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01152  Edetate
Other DBs
CAS: 23411-34-9
PubChem: 47205931
LigandBox: D03943
KCF data

ATOM        24
            1   Z   Na   38.8500  -33.4600 #+
            2   O0  O    39.9700  -37.1000
            3   N1c N    29.6100  -35.5600
            4   C1b C    30.8000  -34.8600
            5   C1b C    28.4200  -34.8600
            6   C1b C    29.6100  -36.9600
            7   C1b C    31.9900  -35.5600
            8   C6a C    28.4200  -33.4600
            9   C6a C    28.4200  -37.6600
            10  N1c N    33.1800  -34.8600
            11  O6a O    27.1600  -32.8300 #-
            12  O6a O    29.6100  -32.8300
            13  O6a O    28.4200  -39.2700 #-
            14  O6a O    27.1600  -36.9600
            15  C1b C    34.4400  -35.5600
            16  C1b C    33.1800  -33.4600
            17  C6a C    34.4400  -36.9600
            18  C6a C    34.4400  -32.8300
            19  O6a O    35.6300  -37.6600 #-
            20  O6a O    33.1800  -37.6600
            21  O6a O    35.6300  -33.4600 #-
            22  O6a O    34.4400  -31.5000
            23  Z   Ca   25.2700  -35.2800 #2+
            24  Z   Na   38.8500  -33.4600 #+
BOND        19
            1     3   4 1
            2     3   5 1
            3     3   6 1
            4     4   7 1
            5     5   8 1
            6     6   9 1
            7     7  10 1
            8     8  11 1
            9     8  12 2
            10    9  13 1
            11    9  14 2
            12   10  15 1
            13   10  16 1
            14   15  17 1
            15   16  18 1
            16   17  19 1
            17   17  20 2
            18   18  21 1
            19   18  22 2
BRACKET     1    37.8000  -34.4400   37.8000  -32.4800
            1    40.3200  -32.4800   40.3200  -34.4400
            1  2
 ORIGINAL  1    1
 REPEAT    1   24
            2    37.6600  -38.0800   37.6600  -36.1200
            2    40.8100  -36.1200   40.8100  -38.0800
            2  x
 ORIGINAL  2    2
 REPEAT    2

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