KEGG   DRUG: Piposulfan
Entry
D05487                      Drug                                   

Name
Piposulfan (USAN/INN);
Ancyte (TN)
Formula
C12H22N2O8S2
Exact mass
386.0818
Mol weight
386.4417
Structure
Class
Antineoplastic
 DG01677  Alkylating agent
  DG01721  Methanesulfonate derivative
Efficacy
Antineoplastic, Alkylating agent
Target
DNA
Interaction
Other DBs
CAS: 2608-24-4
PubChem: 47207156
ChEMBL: CHEMBL472696
LigandBox: D05487
NIKKAJI: J7.628G
LinkDB
KCF data

ATOM        24
            1   C1x C    17.3600  -16.8700
            2   N1y N    17.3600  -15.4700
            3   C1x C    18.5500  -14.7700
            4   C1x C    19.8100  -15.4700
            5   N1y N    19.8100  -16.8700
            6   C1x C    18.5500  -17.5700
            7   C5a C    16.1700  -14.7700
            8   C5a C    21.0000  -17.5700
            9   C1b C    22.2600  -16.8700
            10  C1b C    14.9100  -15.4700
            11  O5a O    16.1700  -13.3700
            12  O5a O    21.0000  -18.9700
            13  C1b C    23.4500  -17.5700
            14  O2a O    24.6400  -16.8700
            15  S4a S    25.8300  -16.1700
            16  C1a C    27.0900  -15.4700
            17  C1b C    13.7200  -14.7700
            18  O2a O    12.5300  -15.4700
            19  S4a S    11.3400  -16.1700
            20  C1a C    10.1500  -16.8700
            21  O3c O    12.0400  -17.3600
            22  O3c O    10.6400  -14.9800
            23  O3c O    26.5300  -17.4300
            24  O3c O    25.1300  -14.9800
BOND        24
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     2   7 1
            8     5   8 1
            9     8   9 1
            10    7  10 1
            11    7  11 2
            12    8  12 2
            13    9  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   10  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   19  21 2
            22   19  22 2
            23   15  23 2
            24   15  24 2

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