Nalbuphine hydrochloride

Entry

D00843                      Drug

Name

Nalbuphine hydrochloride (USAN);
Nubain (TN)

Product

Generic

NALBUPHINE HCI (HF Acquisition Co LLC), NALBUPHINE HCI (HF Acquisition Co LLC), NALBUPHINE HYDROCHLORIDE (General Injectables & Vaccines), NALBUPHINE HYDROCHLORIDE (General Injectables and Vaccines), NALBUPHINE HYDROCHLORIDE (General Injectables and Vaccines), NALBUPHINE HYDROCHLORIDE (Henry Schein), NALBUPHINE HYDROCHLORIDE (Henry Schein), NALBUPHINE HYDROCHLORIDE (Henry Schein), NALBUPHINE HYDROCHLORIDE (Hospira), NALBUPHINE HYDROCHLORIDE (Hospira), NALBUPHINE HYDROCHLORIDE (Medical Purchasing Solutions)

Formula

C21H27NO4. HCl

Exact mass

393.1707

Mol weight

393.9043

Structure

Simcomp

Class

Neuropsychiatric agent
DG01564 Opioid receptor agonist
Analgesic
DG01984 Opioid analgesics

Remark

ATC code:

N02AF02

Chemical structure group:

DG00822

Product (DG00822):

D00843<US>

Efficacy

Analgesic, Narcotic antagonist, Opioid receptor agonist/antagonist

Target

OPRM1 [HSA:4988] [KO:K04215]
OPRK1 [HSA:4986] [KO:K04214]
OPRD1 [HSA:4985] [KO:K04213]

Pathway

hsa04080

Neuroactive ligand-receptor interaction

Interaction

Structure map

map07039

Opioid analgesics

map07224

Opioid receptor agonists/antagonists

Brite

Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AF Morphinan derivatives
     N02AF02 Nalbuphine
      D00843  Nalbuphine hydrochloride (USAN) <US>
USP drug classification [BR:br08302]
Analgesics
  Opioid Analgesics, Short-acting
   Nalbuphine
    D00843  Nalbuphine hydrochloride (USAN)
Drug groups [BR:br08330]
Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG00822  Nalbuphine
    D00843  Nalbuphine hydrochloride
Analgesic
  DG01984  Opioid analgesics
   DG00822  Nalbuphine
    D00843  Nalbuphine hydrochloride
Target-based classification of drugs [BR:br08310]
G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D00843  Nalbuphine hydrochloride (USAN) <US>
    OPRK1
     D00843  Nalbuphine hydrochloride (USAN) <US>
    OPRD1
     D00843  Nalbuphine hydrochloride (USAN) <US>
Drug groups [BR:br08330]
Neuropsychiatric agent
  DG01564  Opioid receptor agonist
   DG00822  Nalbuphine
Analgesic
  DG01984  Opioid analgesics
   DG00822  Nalbuphine

Other DBs

CAS:	23277-43-2

PubChem:

7847908

ChEBI:

7455

LigandBox:

D00843

NIKKAJI:

J231.571H

KCF data

ATOM        27
            1   X   Cl   14.6606  -12.8905
            2   C1z C     6.9594  -14.2694
            3   C8y C     6.9594  -12.9454
            4   C1z C     8.1440  -14.9661
            5   C1y C     5.8445  -14.8965
            6   C1x C     8.1440  -13.6423
            7   C8y C     5.8445  -12.3183
            8   C8y C     8.1440  -12.3183
            9   C1y C     9.2589  -14.2694
            10  C1x C     8.1440  -16.2204
            11  O2x O     4.5206  -13.5725
            12  C1y C     5.8445  -16.2204
            13  C1x C    10.3737  -13.6423
            14  C8y C     5.8445  -10.9944
            15  C1x C     9.2589  -13.0151
            16  C8x C     8.1440  -10.9944
            17  N1y N    10.3737  -14.9661
            18  C1x C     6.9594  -16.9172
            19  O1a O     4.7297  -16.9172
            20  C8x C     7.0291  -10.3673
            21  O1a O     4.7297  -10.3673
            22  O1a O     9.3982  -15.8720
            23  C1b C    11.7726  -14.9661
            24  C1y C    12.4755  -16.1834
            25  C1x C    12.1154  -17.5269
            26  C1x C    13.4590  -17.8870
            27  C1x C    13.8190  -16.5434
BOND        31
            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 1 #Down
            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 1
            29   25  26 1
            30   26  27 1
            31   24  27 1