KEGG   DRUG: Pentetate calcium trisodium
Entry
D05419                      Drug                                   
Name
Pentetate calcium trisodium (JAN/USAN);
Calcium trisodium pentetate (INN);
Pentetate calcium trisodium (TN)
Product
PENTETATE CALCIUM TRISODIUM (hameln pharma gmbh)
Formula
C14H18N3O10. Ca. 3Na
Exact mass
497.0311
Mol weight
497.3541
Structure
Simcomp
Class
Vitamin and mineral
 DG01692  Chelator
Remark
Therapeutic category: 3929
Product: D05419<JP/US>
Efficacy
Antidote (plutonium, americium, curium), Chelating agent
Comment
Treatment of individuals with known or suspected internal contamination with plutonium, americium, or curium to increase the rates of elimination
Interaction
Brite
Therapeutic category of drugs in Japan [BR:br08301]
 3  Agents affecting metabolism
  39  Other agents affecting metabolism
   392  Antidotes
    3929  Others
     D05419  Pentetate calcium trisodium (JAN/USAN); Calcium trisodium pentetate (INN)
Drug groups [BR:br08330]
 Vitamin and mineral
  DG01692  Chelator
   D05419  Pentetate calcium trisodium
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D05419
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D05419
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D05419
Other DBs
CAS: 12111-24-9
PubChem: 47207091
LigandBox: D05419
LinkDB
KCF data

ATOM        31
            1   Z   Na   34.0936  -17.5973 #+
            2   Z   Na   22.9520  -21.7589 #+
            3   Z   Na   22.9010  -16.1461 #+
            4   C1b C    28.0000  -22.8900
            5   C1b C    29.4000  -22.8900
            6   N1c N    30.1000  -21.6776
            7   N1c N    27.3000  -21.6776
            8   N1c N    25.9000  -19.2527
            9   C1b C    25.2000  -20.4651
            10  C1b C    25.9000  -21.6776
            11  C1b C    31.5000  -21.6776
            12  C6a C    32.2000  -20.4651
            13  O6a O    31.5000  -19.2527 #-
            14  O6a O    29.4700  -17.2676 #-
            15  C6a C    30.8700  -16.9876
            16  C1b C    30.8799  -20.2677
            17  O6a O    31.4269  -15.5171
            18  O6a O    33.5998  -20.4651
            19  O6a O    27.8799  -17.2728 #-
            20  C6a C    26.5276  -16.9105
            21  C1b C    25.5377  -17.9004
            22  O6a O    26.1727  -15.5864
            23  C1b C    24.5000  -19.2527
            24  C6a C    23.7988  -18.0382
            25  O6a O    22.4002  -18.0383
            26  O6a O    24.4898  -16.8417 #-
            27  C1b C    26.6000  -22.8900
            28  C6a C    25.2000  -22.8900
            29  O6a O    24.5000  -24.1024
            30  O6a O    24.5000  -21.6776 #-
            31  Z   Ca   28.3500  -19.8100 #2+
BOND        26
            1     4   5 1
            2     5   6 1
            3     4   7 1
            4     8   9 1
            5     9  10 1
            6     7  10 1
            7     6  11 1
            8    11  12 1
            9    12  13 1
            10   14  15 1
            11    6  16 1
            12   16  15 1
            13   15  17 2
            14   12  18 2
            15   19  20 1
            16   20  21 1
            17    8  21 1
            18   20  22 2
            19    8  23 1
            20   23  24 1
            21   24  25 2
            22   24  26 1
            23    7  27 1
            24   27  28 1
            25   28  29 2
            26   28  30 1

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