KEGG   DRUG: NorelgestrominHelp
Entry
D05205                      Drug                                   

Name
Norelgestromin (USAN/INN)
Formula
C21H29NO2
Exact mass
327.2198
Mol weight
327.4605
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Product (mixture): D10839<US>
Efficacy
Contraceptive
Comment
Progestin
Component of Ortho Evra (TN), Xulane (TN)
Target
NR3C3 (PGR) [HSA:5241] [KO:K08556]
  Pathway
hsa04114  Oocyte meiosis
hsa04914  Progesterone-mediated oocyte maturation
Brite
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D05205  Norelgestromin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 53016-31-2
PubChem: 47206924
ChEMBL: CHEMBL1200807
LigandBox: D05205
NIKKAJI: J393.542F
LinkDB All DBs
KCF data Show

ATOM        24
            1   C1x C    38.1698  -26.8652
            2   C2y C    38.1698  -28.2186
            3   C2x C    39.3417  -28.8953
            4   C2y C    40.5138  -28.2186
            5   C1y C    40.5138  -26.8652
            6   C1x C    39.3417  -26.1886
            7   C1x C    41.6858  -28.8953
            8   C1x C    42.8577  -28.2186
            9   C1y C    42.8577  -26.8652
            10  C1y C    41.6858  -26.1886
            11  C1y C    44.0298  -26.1886
            12  C1z C    44.0298  -24.8353
            13  C1x C    42.8577  -24.1587
            14  C1x C    41.6858  -24.8353
            15  C1x C    46.3738  -26.1886
            16  C1x C    46.3738  -24.8353
            17  C1z C    45.2018  -24.1587
            18  N2b N    36.9978  -28.8953
            19  C1b C    44.0298  -23.4819
            20  O1a O    45.2018  -22.5295
            21  C3b C    46.3960  -23.4691
            22  C3a C    47.5904  -22.7796
            23  C1a C    42.8300  -22.7892
            24  O1b O    35.7818  -28.1935
BOND        27
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21    2  18 2
            22   12  19 1 #Up
            23   17  20 1 #Up
            24   17  21 1 #Down
            25   21  22 3
            26   19  23 1
            27   18  24 1

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