KEGG   DRUG: Isoniazid calcium pyruvinateHelp
Entry
D01501                      Drug                                   

Name
Isoniazid calcium pyruvinate (JAN);
Pyruvic acid calcium isoniazid
Formula
(C9H8N3O3)2. Ca
Exact mass
452.0757
Mol weight
452.4342
Structure
Mol fileKCF fileDB search
Class
Antibacterial
 DG01966  Antitubercular
Neuropsychiatric agent
 DG01568  MAO inhibitor
  DG01519  Non-selective monoamine oxidase inhibitor
Remark
ATC code: J04AC01
Chemical structure group: DG00642
Product (DG00642): D00346<JP/US> D02002<JP>
Efficacy
Antibacterial (tuberculostatic)
Comment
Hydrazide derivative
Target
enoyl-[acyl-carrier-protein] reductase (NADH) [KO:K11611]
Interaction
Drug interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J04 ANTIMYCOBACTERIALS
   J04A DRUGS FOR TREATMENT OF TUBERCULOSIS
    J04AC Hydrazides
     J04AC01 Isoniazid
      D01501  Isoniazid calcium pyruvinate (JAN)
BRITE hierarchy
Other DBs
CAS: 3428-05-5
PubChem: 7848564
ChEBI: 31729
ChEMBL: CHEMBL2107174
DrugBank: DB00951
LigandBox: D01501
NIKKAJI: J186.729F
LinkDB All DBs
KCF data Show

ATOM        31
            1   C8y C    28.2548  -14.0547
            2   C5a C    29.4683  -14.7549
            3   C8x C    27.0469  -14.7549
            4   C8x C    28.2548  -12.6543
            5   N1b N    30.6821  -14.0547
            6   O5a O    29.4683  -16.1553
            7   C8x C    25.8275  -14.0547
            8   C8x C    27.0469  -11.9484
            9   N2b N    31.9016  -14.7549
            10  N5x N    25.8275  -12.6543
            11  C2c C    33.1089  -14.0540
            12  C6a C    34.3196  -14.7492
            13  C1a C    33.1055  -12.6581
            14  O6a O    34.3228  -16.1451
            15  O6a O    35.5269  -14.0483 #-
            16  Z   Ca   38.0419  -14.0341 #2+
            17  C8y C    28.2548  -14.0547
            18  C8x C    27.0469  -14.7549
            19  C8x C    25.8275  -14.0547
            20  N5x N    25.8275  -12.6543
            21  C8x C    27.0469  -11.9484
            22  C8x C    28.2548  -12.6543
            23  C5a C    29.4683  -14.7549
            24  N1b N    30.6821  -14.0547
            25  N2b N    31.9016  -14.7549
            26  C2c C    33.1089  -14.0540
            27  C6a C    34.3196  -14.7492
            28  O6a O    35.5269  -14.0483 #-
            29  O6a O    34.3228  -16.1451
            30  C1a C    33.1055  -12.6581
            31  O5a O    29.4683  -16.1553
BOND        30
            1     1   3 2
            2    12  15 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 2
            8     5   9 1
            9     7  10 2
            10    8  10 1
            11    9  11 2
            12   11  12 1
            13   11  13 1
            14    1   2 1
            15   12  14 2
            16   17  18 2
            17   27  28 1
            18   17  22 1
            19   23  24 1
            20   23  31 2
            21   18  19 1
            22   22  21 2
            23   24  25 1
            24   19  20 2
            25   21  20 1
            26   25  26 2
            27   26  27 1
            28   26  30 1
            29   17  23 1
            30   27  29 2
BRACKET     1    25.3400  -16.7300   25.3400  -11.4100
            1    36.4000  -11.4100   36.4000  -16.7300
            1  2
 ORIGINAL  1    1   3   7  10   8   4   2   5   9  11  12  15  14  13   6
 REPEAT    1   17  18  19  20  21  22  23  24  25  26  27  28  29  30  31

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