KEGG   COMPOUND: C08148Help
Entry
C08148                      Compound                               

Name
Hydroxyprogesterone caproate;
Primolut depot;
17alpha-Caproyloxypregn-4-ene-3,20-dione
Formula
C27H40O4
Exact mass
428.2927
Mol weight
428.6041
Structure
Mol fileKCF fileDB search
Remark
Same as: D00949
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 G GENITO URINARY SYSTEM AND SEX HORMONES
  G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
   G03D PROGESTOGENS
    G03DA Pregnen (4) derivatives
     G03DA03 Hydroxyprogesterone
      D00949  Hydroxyprogesterone caproate (JAN/USP/INN) <JP/US>
USP drug classification [BR:br08302]
 Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
  Progestins
   Hydroxyprogesterone
    D00949  Hydroxyprogesterone caproate (JAN/USP/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  24  Hormones
   247  Estrogen and progesterone preparations
    2477  Progesterones
     D00949  Hydroxyprogesterone caproate (JAN/USP/INN)
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Estrogen like receptors
   3-Ketosteroid receptor
    NR3C3 (PGR)
     D00949  Hydroxyprogesterone caproate (JAN/USP/INN) <JP/US>
Animal drugs in Japan [BR:br08331]
 94  Agents for breeding
  941  Hormone preparations (except posterior-pituitary hormone and preparations)
   9415  Luteinizing hormone and preparations
    C08148  Hydroxyprogesterone caproate
BRITE hierarchy
Other DBs
CAS: 630-56-8
PubChem: 10348
ChEBI: 5812
ChEMBL: CHEMBL1200848
NIKKAJI: J6.891H
LinkDB All DBs
KCF data Show

ATOM        31
            1   C1x C    16.6600  -29.1900
            2   C5x C    16.6600  -30.5200
            3   C2x C    17.8500  -31.1500
            4   C2y C    19.0400  -30.5200
            5   C1z C    19.0400  -29.1900
            6   C1x C    17.8500  -28.4900
            7   C1x C    20.1600  -31.1500
            8   C1x C    21.4200  -30.5200
            9   C1y C    21.4200  -29.1900
            10  C1y C    20.1600  -28.4900
            11  C1y C    22.6100  -28.4900
            12  C1z C    22.6100  -27.0900
            13  C1x C    21.4200  -26.3900
            14  C1x C    20.1600  -27.0900
            15  O5x O    15.4700  -31.1500
            16  C1a C    19.0400  -27.7900
            17  C1a C    22.6100  -25.6900
            18  C1x C    24.9900  -28.4900
            19  C1x C    24.9900  -27.0900
            20  C1z C    23.8000  -26.3900
            21  C5a C    23.8000  -24.9900
            22  O5a O    22.6100  -24.3600
            23  C1a C    24.9200  -24.3600
            24  O7a O    24.9200  -25.6900
            25  C7a C    26.1100  -26.3900
            26  C1b C    27.3000  -25.6900
            27  O6a O    26.1100  -27.7900
            28  C1b C    28.4900  -26.3900
            29  C1b C    29.6800  -25.6900
            30  C1b C    30.8000  -26.3900
            31  C1a C    31.9900  -25.6900
BOND        34
            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    2  15 2
            18    5  16 1 #Up
            19   12  17 1 #Up
            20   11  18 1
            21   18  19 1
            22   19  20 1
            23   12  20 1
            24   20  21 1 #Up
            25   21  22 2
            26   21  23 1
            27   20  24 1 #Down
            28   24  25 1
            29   25  26 1
            30   25  27 2
            31   26  28 1
            32   28  29 1
            33   29  30 1
            34   30  31 1

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