KEGG   DRUG: Naloxone hydrochloride dihydrate
Entry
D11620                      Drug                                   
Name
Naloxone hydrochloride dihydrate
Product
  Generic
Formula
C19H21NO4. HCl. 2H2O
Exact mass
399.1449
Mol weight
399.8658
Structure
Class
Analgesic
 DG01586  Opioid receptor antagonist
Remark
ATC code: A06AH04 V03AB15
Chemical structure group: DG01155
Product (DG01155): D01340<JP/US> D11620<US>
Product (mixture): D10250<US>
Efficacy
Narcotic antagonist, Opioid receptor antagonist
Comment
Normorphine derivative
Target
OPRM1 [HSA:4988] [KO:K04215]
OPRK1 [HSA:4986] [KO:K04214]
OPRD1 [HSA:4985] [KO:K04213]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa05032  Morphine addiction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A06 DRUGS FOR CONSTIPATION
   A06A DRUGS FOR CONSTIPATION
    A06AH Peripheral opioid receptor antagonist
     A06AH04 Naloxone
      D11620  Naloxone hydrochloride dihydrate <US>
 V VARIOUS
  V03 ALL OTHER THERAPEUTIC PRODUCTS
   V03A ALL OTHER THERAPEUTIC PRODUCTS
    V03AB Antidotes
     V03AB15 Naloxone
      D11620  Naloxone hydrochloride dihydrate <US>
Drug groups [BR:br08330]
 Analgesic
  DG01586  Opioid receptor antagonist
   DG01155  Naloxone
    D11620  Naloxone hydrochloride dihydrate
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D11620  Naloxone hydrochloride dihydrate <US>
    OPRK1
     D11620  Naloxone hydrochloride dihydrate <US>
    OPRD1
     D11620  Naloxone hydrochloride dihydrate <US>
Drug groups [BR:br08330]
 Analgesic
  DG01586  Opioid receptor antagonist
   DG01155  Naloxone
Other DBs
CAS: 51481-60-8
PubChem: 405226487
LinkDB
KCF data

ATOM        27
            1   X   Cl   23.7264  -16.5177
            2   C1z C    16.0276  -16.8674
            3   C8y C    16.0276  -15.5376
            4   C1z C    17.2174  -17.4974
            5   C1y C    14.9077  -17.4274
            6   C1x C    17.2174  -16.2375
            7   C8y C    14.9077  -14.9077
            8   C8y C    17.2174  -14.9077
            9   C1y C    18.3372  -16.8674
            10  C1x C    17.2174  -18.7572
            11  O2x O    13.5779  -16.1676
            12  C5x C    14.9077  -18.7572
            13  C1x C    19.4571  -16.2375
            14  C8y C    14.9077  -13.5779
            15  C1x C    18.3372  -15.6076
            16  C8x C    17.2174  -13.5779
            17  N1y N    19.4571  -17.4974
            18  C1x C    16.0276  -19.4571
            19  O5x O    13.7879  -19.4571
            20  C8x C    16.0976  -12.9480
            21  O1a O    13.7879  -12.9480
            22  O1a O    18.4772  -18.4072
            23  C1b C    20.8568  -17.4974
            24  C2b C    21.5567  -18.7572
            25  C2a C    22.9565  -18.7572
            26  O0  O    24.2200  -14.3500
            27  O0  O    24.2200  -12.6700
BOND        28
            1     2   3 1
            2     2   4 1
            3     2   5 1
            4     2   6 1 #Up
            5     3   7 2
            6     3   8 1
            7     4   9 1
            8     4  10 1
            9     5  11 1 #Down
            10    5  12 1
            11    6  13 1
            12    7  14 1
            13    8  15 1
            14    8  16 2
            15    9  17 1 #Up
            16   10  18 1
            17   12  19 2
            18   14  20 2
            19   14  21 1
            20    7  11 1
            21    9  15 1
            22   12  18 1
            23   13  17 1
            24   16  20 1
            25    4  22 1 #Up
            26   17  23 1
            27   23  24 1
            28   24  25 2

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