KEGG   DRUG: Umifenovir
Entry
D10558                      Drug                                   

Name
Umifenovir (INN)
Formula
C22H25BrN2O3S
Exact mass
476.0769
Mol weight
477.4145
Structure
Remark
ATC code: J05AX13
Efficacy
Antiviral
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 J ANTIINFECTIVES FOR SYSTEMIC USE
  J05 ANTIVIRALS FOR SYSTEMIC USE
   J05A DIRECT ACTING ANTIVIRALS
    J05AX Other antivirals
     J05AX13 Umifenovir
      D10558  Umifenovir (INN)
Other DBs
CAS: 131707-25-0
PubChem: 254741520
ChEMBL: CHEMBL1214598
PDB-CCD: 75U[PDBj]
LinkDB
KCF data

ATOM        29
            1   C8y C    16.6600  -19.0400
            2   C8y C    16.6600  -17.6400
            3   C8y C    15.4700  -16.9400
            4   C8y C    14.2100  -17.6400
            5   C8y C    14.2100  -19.0400
            6   C8x C    15.4700  -19.7400
            7   X   Br   17.8500  -19.7400
            8   O1a O    17.8500  -16.9400
            9   C1b C    15.4700  -15.5400
            10  N1c N    16.6600  -14.8400
            11  C1a C    17.8500  -15.5400
            12  C1a C    16.6600  -13.4400
            13  C8y C    12.8800  -17.2200
            14  C8y C    12.1100  -18.3400
            15  N4y N    12.8800  -19.4600
            16  C1a C    12.4600  -20.7900
            17  C7a C    12.4600  -15.8900
            18  C1b C    10.7100  -18.3400
            19  S2a S    10.0100  -17.1500
            20  C8y C     8.6100  -17.1500
            21  C8x C     7.9100  -15.9600
            22  C8x C     6.5100  -15.9600
            23  C8x C     5.8100  -17.1500
            24  C8x C     6.5100  -18.3400
            25  C8x C     7.9100  -18.3400
            26  O7a O    11.0600  -15.8900
            27  O6a O    13.3000  -14.7700
            28  C1b C    10.3600  -14.7000
            29  C1a C     8.9600  -14.7000
BOND        31
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     2   8 1
            9     3   9 1
            10    9  10 1
            11   10  11 1
            12   10  12 1
            13    4  13 1
            14   13  14 2
            15   14  15 1
            16    5  15 1
            17   15  16 1
            18   13  17 1
            19   14  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   23  24 1
            26   24  25 2
            27   20  25 1
            28   17  26 1
            29   17  27 2
            30   26  28 1
            31   28  29 1

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