KEGG   DRUG: PentamidineHelp
Entry
D08333                      Drug                                   

Name
Pentamidine (INN);
Lomidine (TN)
Formula
C19H24N4O2
Exact mass
340.1899
Mol weight
340.4195
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C07420
Chemical structure group: DG01902
Product (DG01902): D00834<JP/US>
Efficacy
Antifungal, Antiprotozoal
Comment
Treatment of leishmaniasis, Trypanosomiasis
Interaction
Drug interaction
Other DBs
CAS: 100-33-4
PubChem: 96025020
ChEBI: 45081
ChEMBL: CHEMBL55
DrugBank: DB00738
PDB-CCD: PNT[PDBj]
LigandBox: D08333
NIKKAJI: J5.512C
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8y C    16.8700  -17.9200
            2   C8x C    16.8700  -19.3200
            3   C8x C    18.0600  -20.0200
            4   C8y C    19.3200  -19.3200
            5   C8x C    19.3200  -17.9200
            6   C8x C    18.0600  -17.2200
            7   C2c C    15.6800  -17.2200
            8   N1a N    14.4900  -17.9200
            9   N2a N    15.6800  -15.8200
            10  O2a O    20.5100  -20.0200
            11  C1b C    21.7700  -19.3200
            12  C1b C    22.9600  -20.0200
            13  C1b C    24.1500  -19.3200
            14  C1b C    25.3400  -20.0200
            15  C1b C    26.5300  -19.3200
            16  O2a O    27.7200  -20.0200
            17  C8y C    28.9100  -19.3200
            18  C8x C    30.1700  -20.0200
            19  C8x C    31.3600  -19.3200
            20  C8y C    31.3600  -17.9200
            21  C8x C    30.1700  -17.2200
            22  C8x C    28.9100  -17.9200
            23  C2c C    32.6200  -17.2200
            24  N1a N    33.8100  -17.9200
            25  N2a N    32.6200  -15.8200
BOND        26
            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     7   8 1
            9     7   9 2
            10    4  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21   20  21 1
            22   21  22 2
            23   17  22 1
            24   20  23 1
            25   23  24 1
            26   23  25 2

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