KEGG   DRUG: Folinic acid calcium salt pentahydrateHelp
Entry
D07987                      Drug                                   

Name
Folinic acid calcium salt pentahydrate;
Leucovorin calcium pentahydrate;
Leucovorin (TN)
Formula
C20H21N7O7. Ca. 5H2O
Exact mass
601.1657
Mol weight
601.5778
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Remark
Chemical group: 
Efficacy
Antidote (antifolate)
Comment
Tetrahydrofolic acid [CPD:C00101] derivative
Other map
Bile secretion
Brite
USP drug classification [BR:br08302]
 Antineoplastics
  Antineoplastics, Other
   Leucovorin
    D07987  Folinic acid calcium salt pentahydrate
BRITE hierarchy
Other DBs
CAS: 
6035-45-6
PubChem: 
LigandBox: 
KCF data Show

ATOM        40
            1   O0  O    19.5300  -19.1100
            2   O0  O    23.6600  -19.1100
            3   O0  O    27.8600  -18.9700
            4   O0  O    21.3500  -20.5800
            5   O0  O    26.1100  -20.5100
            6   C1c C    24.0800  -14.1400
            7   C1b C    25.2700  -14.8400
            8   C6a C    24.0800  -12.7400
            9   C8y C    11.9700  -17.0100
            10  N1y N    13.1600  -16.3100
            11  C8y C    11.9700  -18.4100
            12  C8y C    10.7100  -16.3100
            13  C1y C    14.4200  -17.0100
            14  N1x N    13.1600  -19.1100
            15  N4x N    10.7100  -19.1100
            16  N5x N     9.5200  -17.0100
            17  O5x O    10.7100  -14.9100
            18  C1x C    14.4200  -18.4100
            19  C1b C    15.6100  -16.3100
            20  C8y C     9.5200  -18.4100
            21  N1a N     8.3300  -19.1100
            22  N1b N    16.8000  -17.0100
            23  C8y C    17.9900  -16.3100
            24  C8x C    17.9900  -14.9100
            25  C8x C    19.1800  -14.2100
            26  C8y C    20.4400  -14.9100
            27  C8x C    20.4400  -16.3100
            28  C8x C    19.2500  -17.0100
            29  C5a C    21.6300  -14.2100
            30  N1b N    22.8900  -14.9100
            31  O5a O    21.6300  -12.8100
            32  O6a O    25.2700  -12.0400 #-
            33  C1b C    26.4600  -14.1400
            34  O6a O    22.8900  -12.0400
            35  C6a C    27.6500  -14.8400
            36  O6a O    28.9100  -14.0700 #-
            37  O6a O    27.6500  -16.2400
            38  C4a C    13.1600  -14.9100
            39  O4a O    14.3500  -14.2100
            40  Z   Ca   27.1600  -12.3900 #2+
BOND        36
            1     6   7 1
            2     6   8 1
            3     9  10 1
            4     9  11 2
            5     9  12 1
            6    10  13 1
            7    11  14 1
            8    11  15 1
            9    12  16 1
            10   12  17 2
            11   13  18 1
            12   13  19 1
            13   15  20 1
            14   20  21 1
            15   14  18 1
            16   16  20 2
            17   19  22 1
            18   22  23 1
            19   23  24 2
            20   24  25 1
            21   25  26 2
            22   26  27 1
            23   27  28 2
            24   23  28 1
            25   26  29 1
            26   29  30 1
            27   29  31 2
            28    6  30 1
            29    8  32 1
            30    7  33 1
            31    8  34 2
            32   33  35 1
            33   35  36 1
            34   35  37 2
            35   10  38 1
            36   38  39 2

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