KEGG   COMPOUND: C16559
Entry
C16559                      Compound                               
Name
Isophosphoramide mustard;
Ifosfamide mustard;
Isophosphamide mustard
Formula
C4H11Cl2N2O2P
Exact mass
219.9935
Mol weight
221.02
Structure
Remark
Same as: D09364
Reaction
R08289
Pathway
map00982  Drug metabolism - cytochrome P450
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01677  Alkylating agent
   DG01678  Nitrogen mustard analog
    DG01720  Isophosphoramide mustard analog
     DG01514  Palifosfamide
      D09364  Palifosfamide
Other DBs
CAS: 31645-39-3
PubChem: 51090888
ChEBI: 80566
NIKKAJI: J426.682J
LinkDB
KCF data

ATOM        11
            1   N1b N    25.4100  -18.5500
            2   P1a P    25.4100  -19.8800
            3   C1b C    24.2200  -17.8500
            4   N1b N    26.8100  -19.8800
            5   O1c O    25.4100  -21.3500
            6   O3b O    24.0100  -19.8800
            7   C1b C    22.9600  -18.5500
            8   X   Cl   21.7700  -17.8500
            9   C1b C    28.0000  -19.1800
            10  C1b C    29.2600  -19.8800
            11  X   Cl   30.4500  -19.1800
BOND        10
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     7   8 1
            8     4   9 1
            9     9  10 1
            10   10  11 1

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