KEGG   DRUG: Improsulfan tosilate
Entry
D01497                      Drug                                   

Name
Improsulfan tosilate (JAN)
Formula
C8H19NO6S2. C7H8O3S
Exact mass
461.0848
Mol weight
461.5712
Structure
Class
Antineoplastic
 DG01677  Alkylating agent
  DG01721  Methanesulfonate derivative
Efficacy
Antineoplastic, Alkylating agent
Target
DNA
Interaction
Other DBs
CAS: 32784-82-0
PubChem: 7848560
ChEBI: 31694
ChEMBL: CHEMBL3183388
LigandBox: D01497
NIKKAJI: J447.389B
LinkDB
KCF data

ATOM        28
            1   C1a C    22.3622  -16.9572
            2   S4a S    23.5688  -16.2587
            3   O2a O    24.7756  -16.9501
            4   C1b C    25.9822  -16.2516
            5   C1b C    27.1889  -16.9432
            6   C1b C    28.3955  -16.2447
            7   N1b N    29.6022  -16.9361
            8   C1b C    30.8089  -16.2376
            9   C1b C    32.0155  -16.9290
            10  C1b C    33.2222  -16.2304
            11  O1d O    24.5567  -15.2637
            12  O1d O    22.5739  -15.2637
            13  O2a O    34.4329  -16.9276
            14  S4a S    35.6422  -16.2276
            15  C1a C    36.8530  -16.9247
            16  O1d O    36.6235  -15.2285
            17  O1d O    34.6406  -15.2285
            18  C8x C    39.1300  -15.4000
            19  C8x C    39.1300  -16.8000
            20  C8y C    40.3424  -17.5000
            21  C8x C    41.5549  -16.8000
            22  C8x C    41.5549  -15.4000
            23  C8y C    40.3424  -14.7000
            24  S4a S    40.3424  -13.3002
            25  O1d O    40.3424  -11.9002
            26  O1d O    38.9200  -13.3002
            27  O1d O    41.7200  -13.3002
            28  C1a C    40.3424  -18.8998
BOND        27
            1    13  14 1
            2     6   7 1
            3    14  15 1
            4    14  16 2
            5     7   8 1
            6    14  17 2
            7     3   4 1
            8     8   9 1
            9     1   2 1
            10    9  10 1
            11    4   5 1
            12    2  11 2
            13    2  12 2
            14    5   6 1
            15   10  13 1
            16    2   3 1
            17   18  19 2
            18   19  20 1
            19   20  21 2
            20   21  22 1
            21   22  23 2
            22   18  23 1
            23   23  24 1
            24   24  25 1
            25   24  26 2
            26   24  27 2
            27   20  28 1

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