KEGG   DRUG: Edetate calcium disodium anhydrous
Entry
D00571                      Drug                                   
Name
Edetate calcium disodium anhydrous (USP);
Calcium disodium versenate (TN)
Formula
C10H12N2O8. Ca. 2Na
Exact mass
374.0015
Mol weight
374.2684
Structure
Simcomp
Class
Vitamin and mineral
 DG01692  Chelator
Remark
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
      D00571  Edetate calcium disodium anhydrous (USP)
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01152  Edetate
    D00571  Edetate calcium disodium anhydrous
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   DG01152  Edetate
Other DBs
CAS: 62-33-9
PubChem: 7847637
ChEBI: 4757
LigandBox: D00571
NIKKAJI: J1.405.465K J2.073.535J
LinkDB
KCF data

ATOM        23
            1   N1c N    27.1386  -20.7986
            2   C1b C    28.3465  -20.1084
            3   C1b C    25.9375  -20.1084
            4   C1b C    27.1386  -22.1916
            5   C1b C    29.5476  -20.7986
            6   C6a C    25.9375  -18.7155
            7   C6a C    25.9375  -22.8882
            8   N1c N    30.7555  -20.1084
            9   O6a O    24.7362  -18.0189 #-
            10  O6a O    27.1386  -18.0189
            11  O6a O    25.9375  -24.4831 #-
            12  O6a O    24.7362  -22.1916
            13  C1b C    31.9566  -20.7986
            14  C1b C    30.7555  -18.7155
            15  C6a C    31.9566  -22.1916
            16  C6a C    31.9566  -18.0189
            17  O6a O    33.1579  -22.8882 #-
            18  O6a O    30.7555  -22.8882
            19  O6a O    33.1579  -18.7155 #-
            20  O6a O    31.9566  -16.6324
            21  Z   Ca   22.2602  -20.5101 #2+
            22  Z   Na   37.5903  -19.9501 #+
            23  Z   Na   37.5903  -19.9501 #+
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
BRACKET     1    21.3500  -24.8500   21.3500  -15.8200
            1    34.3700  -15.8200   34.3700  -24.8500
            1  1 #GEN
            2    36.6800  -20.9300   36.6800  -18.9000
            2    39.0600  -18.9000   39.0600  -20.9300
            2  2
 ORIGINAL  2   22
 REPEAT    2   23

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