KEGG   COMPOUND: C07251Help
Entry
C07251                      Compound                               

Name
Nalbuphine
Formula
C21H27NO4
Exact mass
357.194
Mol weight
357.4434
Structure
Mol fileKCF fileDB search
Remark
Same as: D08246
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AF Morphinan derivatives
     N02AF02 Nalbuphine
      D08246  Nalbuphine (INN)
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Short-acting
   Nalbuphine
    D08246  Nalbuphine (INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D08246  Nalbuphine (INN)
    OPRK1
     D08246  Nalbuphine (INN)
    OPRD1
     D08246  Nalbuphine (INN)
BRITE hierarchy
Other DBs
CAS: 20594-83-6
PubChem: 9460
ChEBI: 7454
ChEMBL: CHEMBL2112201 CHEMBL3039334 CHEMBL895
NIKKAJI: J14.212C
LinkDB All DBs
KCF data Show

ATOM        26
            1   C1z C    29.4000  -17.3600
            2   C8y C    29.4000  -16.0300
            3   C1z C    30.5900  -18.0600
            4   C1y C    28.2800  -17.9900
            5   C1x C    30.5900  -16.7300
            6   C8y C    28.2800  -15.4000
            7   C8y C    30.5900  -15.4000
            8   C1y C    31.7100  -17.3600
            9   C1x C    30.5900  -19.3200
            10  O2x O    27.0200  -16.6600
            11  C1y C    28.2800  -19.3200
            12  C1x C    32.8300  -16.7300
            13  C8y C    28.2800  -14.0700
            14  C1x C    31.7100  -16.1000
            15  C8x C    30.5900  -14.0700
            16  N1y N    32.8300  -18.0600
            17  C1x C    29.4000  -20.0200
            18  O1a O    27.2300  -20.0200
            19  C8x C    29.4700  -13.4400
            20  O1a O    27.2300  -13.4400
            21  O1a O    31.8500  -18.9700
            22  C1b C    34.2300  -18.0600
            23  C1y C    34.9300  -19.2500
            24  C1x C    34.5800  -20.5800
            25  C1x C    35.9100  -20.9300
            26  C1x C    36.2600  -19.6000
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1 #Down
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 1
            17   11  18 1 #Down
            18   13  19 2
            19   13  20 1
            20    6  10 1
            21    8  14 1
            22   11  17 1
            23   12  16 1
            24   15  19 1
            25    3  21 1 #Up
            26   16  22 1
            27   22  23 1
            28   23  24 1
            29   24  25 1
            30   25  26 1
            31   23  26 1

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