KEGG   COMPOUND: C14486Help
Entry
C14486                      Compound                               

Name
Norethindrone enanthate;
Norethisterone enanthate;
17alpha-Ethynyl-17beta-heptanoyloxy-4-estren-3-one
Formula
C27H38O3
Exact mass
410.2821
Mol weight
410.5888
Structure
Mol fileKCF fileDB search
Remark
Same as: D08285
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03A HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
    G03AC Progestogens
     G03AC01 Norethisterone
      D08285  Norethisterone enantate
   G03D PROGESTOGENS
    G03DC Estren derivatives
     G03DC02 Norethisterone
      D08285  Norethisterone enantate
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D08285  Norethisterone enantate
BRITE hierarchy
Other DBs
CAS: 3836-23-5
PubChem: 17395486
ChEBI: 34894
ChEMBL: CHEMBL3187229
NIKKAJI: J59.376A
LinkDB All DBs
KCF data Show

ATOM        30
            1   C1z C    35.4220  -22.1074
            2   C1z C    36.6082  -21.4295
            3   C1y C    35.4105  -23.4805
            4   C1x C    34.2475  -21.4236
            5   C1a C    35.4162  -20.7400
            6   C1x C    37.7945  -22.1191
            7   O7a O    36.5967  -20.0562
            8   C3b C    37.7887  -20.7400
            9   C1y C    34.2242  -24.1584
            10  C1x C    37.7829  -23.4922
            11  C1x C    33.0555  -22.0957
            12  C7a C    36.5967  -18.6948
            13  C3a C    38.9692  -20.0505
            14  C1y C    33.0438  -23.4631
            15  C1x C    34.2242  -25.5317
            16  C1b C    37.7829  -18.0110
            17  O6a O    35.4162  -18.0169
            18  C1y C    31.8575  -24.1409
            19  C1x C    33.0321  -26.2096
            20  C2y C    31.8518  -25.5200
            21  C1x C    30.6771  -23.4572
            22  C2x C    30.6771  -26.2036
            23  C1x C    29.4908  -24.1409
            24  C5x C    29.4908  -25.5200
            25  O5x O    28.2988  -26.1979
            26  C1b C    38.9983  -18.7139
            27  C1b C    40.2152  -18.0126
            28  C1b C    41.4427  -18.7232
            29  C1b C    42.6681  -18.0179
            30  C1a C    43.8907  -18.7264
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1 #Up
            7     2   8 1 #Down
            8     3   9 1
            9     3  10 1
            10    4  11 1
            11    7  12 1
            12    8  13 3
            13    9  14 1
            14    9  15 1
            15   12  16 1
            16   12  17 2
            17   14  18 1
            18   15  19 1
            19   18  20 1
            20   18  21 1
            21   20  22 2
            22   21  23 1
            23   22  24 1
            24   24  25 2
            25    6  10 1
            26   11  14 1
            27   19  20 1
            28   23  24 1
            29   16  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   29  30 1

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