KEGG   DRUG: D04066Help
Entry
D04066                      Drug                                   

Name
Estramustine (USAN/INN)
Formula
C23H31Cl2NO3
Exact mass
439.1681
Mol weight
440.4031
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic [DS:H00024]
Remark
Same as: 
ATC code: 
Drug group: 
Comment
alkylating agent
Indication: metastatic and/or progressive Carcinoma of the prostate
Target
DNA
Interaction
Drug interaction
Structure map
Antineoplastics - alkylating agents
Antineoplastics - hormones
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XX Other antineoplastic agents
     L01XX11 Estramustine
      D04066  Estramustine (USAN/INN)
USP drug classification [BR:br08302]
 Antineoplastics
  Antiestrogens/Modifiers
   Estramustine
    D04066  Estramustine (USAN/INN)
Antineoplastics [BR:br08308]
 Alkylating agents
  Nitrogen mustard analogs
   Estramustine
    D04066  Estramustine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
2998-57-4
PubChem: 
DrugBank: 
LigandBox: 
NIKKAJI: 
KCF data Show

ATOM        29
            1   C8x C    23.2713  -17.0398
            2   C8y C    23.2713  -18.4089
            3   C8x C    24.4570  -19.0899
            4   C8x C    24.4570  -16.3519
            5   C8y C    25.6427  -17.0398
            6   C8y C    25.6367  -18.4089
            7   C1x C    26.8166  -19.0952
            8   C1x C    28.0093  -18.4192
            9   C1y C    26.8284  -16.3571
            10  C1y C    28.0093  -17.0531
            11  C1x C    28.0321  -14.3224
            12  C1x C    26.8399  -14.9918
            13  C1z C    29.2062  -15.0113
            14  C1y C    29.1893  -16.3725
            15  C1x C    31.5481  -16.4016
            16  C1x C    31.5647  -15.0406
            17  C1y C    30.3973  -14.3488
            18  O7a O    22.0780  -19.0830
            19  C7a C    20.8917  -18.4020
            20  O6a O    20.8846  -17.0328
            21  N1c N    19.7052  -19.0759
            22  C1b C    19.6981  -20.4448
            23  C1b C    18.5115  -18.3949
            24  C1a C    29.1967  -13.6420
            25  O1a O    30.3900  -12.9749
            26  C1b C    18.5131  -16.9687
            27  X   Cl   17.2934  -16.2626
            28  C1b C    20.9026  -21.1488
            29  X   Cl   20.9026  -22.5458
BOND        32
            1     6   7 1
            2     7   8 1
            3    13  14 1
            4    15  16 1
            5    16  17 1
            6    17  13 1
            7    14  15 1
            8     8  10 1
            9     2  18 1
            10    9   5 1
            11   18  19 1
            12    5   4 1
            13   19  20 2
            14    4   1 2
            15   19  21 1
            16   21  22 1
            17    1   2 1
            18    9  10 1
            19   10  14 1
            20   21  23 1
            21   13  11 1
            22   11  12 1
            23   12   9 1
            24   13  24 1 #Up
            25    2   3 2
            26   17  25 1 #Up
            27    3   6 1
            28    5   6 2
            29   23  26 1
            30   26  27 1
            31   22  28 1
            32   28  29 1

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