KEGG   DRUG: Tilorone hydrochlorideHelp
Entry
D06149                      Drug                                   

Name
Tilorone hydrochloride (USAN)
Formula
C25H34N2O3. 2HCl
Exact mass
482.2103
Mol weight
483.4709
Structure
Mol fileKCF fileDB search
Efficacy
Antiviral
Other DBs
CAS: 27591-69-1
PubChem: 47207807
ChEMBL: CHEMBL539581
LigandBox: D06149
NIKKAJI: J2.199.890G
LinkDB All DBs
KCF data Show

ATOM        32
            1   C8y C    35.4200  -17.2900
            2   C8y C    34.0200  -17.2900
            3   C8y C    33.6000  -15.9600
            4   C5x C    34.7200  -15.1200
            5   C8y C    35.8400  -15.9600
            6   C8x C    37.2400  -15.6800
            7   C8y C    38.1500  -16.7300
            8   C8x C    37.7300  -18.0600
            9   C8x C    36.3300  -18.3400
            10  C8x C    33.1100  -18.3400
            11  C8x C    31.7100  -18.0600
            12  C8y C    31.2900  -16.7300
            13  C8x C    32.2000  -15.6800
            14  O5x O    34.7200  -13.7200
            15  O2a O    39.3997  -16.0395
            16  O2a O    30.0169  -16.0837
            17  C1b C    28.8580  -16.8502
            18  C1b C    27.5849  -16.2040
            19  C1b C    40.5847  -16.7650
            20  C1b C    41.8344  -16.0746
            21  N1c N    43.0194  -16.8000
            22  N1c N    26.4260  -16.9705
            23  C1b C    25.1530  -16.3242
            24  C1b C    44.2691  -16.1096
            25  C1a C    45.4541  -16.8350
            26  C1b C    43.0215  -18.1948
            27  C1a C    44.2065  -18.9202
            28  C1b C    26.4728  -18.3644
            29  C1a C    25.3139  -19.1310
            30  C1a C    23.9941  -17.0907
            31  X   Cl   39.8300  -20.0900
            32  X   Cl   39.8300  -20.0900
BOND        32
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     5   6 2
            7     6   7 1
            8     7   8 2
            9     8   9 1
            10    1   9 2
            11    2  10 2
            12   10  11 1
            13   11  12 2
            14   12  13 1
            15    3  13 2
            16    4  14 2
            17    7  15 1
            18   12  16 1
            19   16  17 1
            20   17  18 1
            21   15  19 1
            22   19  20 1
            23   20  21 1
            24   18  22 1
            25   22  23 1
            26   21  24 1
            27   24  25 1
            28   21  26 1
            29   26  27 1
            30   22  28 1
            31   28  29 1
            32   23  30 1
BRACKET     1    38.0800  -21.0000   38.0800  -19.1100
            1    40.8800  -19.1100   40.8800  -21.0000
            1  2
 ORIGINAL  1   31
 REPEAT    1   32

» Japanese version   » Back

DBGET integrated database retrieval system