KEGG   COMPOUND: C11686Help
Entry
C11686                      Compound                               

Name
Uracil mustard
Formula
C8H11Cl2N3O2
Exact mass
251.0228
Mol weight
252.0978
Structure
Mol fileKCF fileDB search
Remark
Same as: D06265
Brite
Carcinogens [BR:br08008]
 Group 2B: Possibly carcinogenic to humans
  Compounds
   C11686  Uracil mustard
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01A ALKYLATING AGENTS
    L01AD Nitrosoureas
     L01AD08 Uramustine
      D06265  Uracil mustard (USAN)
BRITE hierarchy
Other DBs
CAS: 66-75-1
PubChem: 13851
ChEBI: 9884
ChEMBL: CHEMBL1488
NIKKAJI: J2.362K
LinkDB All DBs
KCF data Show

ATOM        15
            1   C8y C    30.1612  -20.0917
            2   C8x C    30.1729  -21.4905
            3   C8y C    31.3735  -19.3982
            4   N4x N    31.3735  -22.1957
            5   N4x N    32.5916  -20.0917
            6   O5x O    31.3851  -17.9936
            7   C8y C    32.5916  -21.4963
            8   O5x O    33.8040  -22.1898
            9   N1c N    28.9521  -19.3974
            10  C1b C    28.9487  -17.9843
            11  C1b C    27.7418  -20.0999
            12  C1b C    27.7450  -21.4898
            13  X   Cl   26.5154  -22.2035
            14  C1b C    30.1801  -17.2690
            15  X   Cl   30.1801  -15.8690
BOND        15
            1     7   8 2
            2     5   7 1
            3     1   9 1
            4     1   2 2
            5     1   3 1
            6     2   4 1
            7     3   5 1
            8     3   6 2
            9     4   7 1
            10    9  10 1
            11    9  11 1
            12   11  12 1
            13   12  13 1
            14   10  14 1
            15   14  15 1

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