KEGG   COMPOUND: C19557Help
Entry
C19557                      Compound                               

Name
Treosulfan
Formula
C6H14O8S2
Exact mass
278.013
Mol weight
278.3006
Structure
Mol fileKCF fileDB search
Remark
Same as: D07253
Brite
Carcinogens [BR:br08008]
 Group 1: Carcinogenic to humans
  Compounds
   C19557  Treosulfan
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01A ALKYLATING AGENTS
    L01AB Alkyl sulfonates
     L01AB02 Treosulfan
      D07253  Treosulfan (INN)
BRITE hierarchy
Other DBs
CAS: 299-75-2
PubChem: 124490229
ChEBI: 82557
ChEMBL: CHEMBL455186
KCF data Show

ATOM        16
            1   O2a O    31.2900  -16.3100
            2   C1b C    30.1000  -17.0100
            3   C1c C    28.9100  -16.3100
            4   C1c C    27.6500  -17.0100
            5   C1b C    26.4600  -16.3100
            6   O2a O    25.2700  -17.0100
            7   O1a O    28.9100  -14.9100
            8   O1a O    27.6500  -18.4100
            9   S4a S    24.0100  -16.3100
            10  C1a C    24.7100  -15.0500
            11  O3c O    22.8200  -15.6100
            12  O3c O    23.3100  -17.5000
            13  S4a S    32.5500  -17.0100
            14  C1a C    31.8500  -18.2000
            15  O3c O    33.2500  -15.7500
            16  O3c O    33.7400  -17.7100
BOND        15
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     3   7 1 #Up
            7     4   8 1 #Up
            8     6   9 1
            9     9  10 1
            10    9  11 2
            11    9  12 2
            12    1  13 1
            13   13  14 1
            14   13  15 2
            15   13  16 2

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