KEGG   COMPOUND: C06863Help
Entry
C06863                      Compound                               

Name
Butorphanol
Formula
C21H29NO2
Exact mass
327.2198
Mol weight
327.4605
Structure
Mol fileKCF fileDB search
Remark
Same as: D03197
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N02 ANALGESICS
   N02A OPIOIDS
    N02AF Morphinan derivatives
     N02AF01 Butorphanol
      D03197  Butorphanol (USAN/INN)
USP drug classification [BR:br08302]
 Analgesics
  Opioid Analgesics, Short-acting
   Butorphanol
    D03197  Butorphanol (USAN/INN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Opioid
    OPRM1
     D03197  Butorphanol (USAN/INN)
    OPRK1
     D03197  Butorphanol (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 42408-82-2
PubChem: 9081
ChEBI: 3242
ChEMBL: CHEMBL33986
NIKKAJI: J16.487I
LinkDB All DBs
KCF data Show

ATOM        24
            1   C1z C    22.1770  -15.4513
            2   C1z C    23.3388  -16.1310
            3   C8y C    22.1770  -14.0978
            4   C1x C    23.4607  -14.5800
            5   C1x C    20.9978  -16.1135
            6   C1y C    24.5939  -15.3990
            7   C1x C    23.3388  -17.4788
            8   O1a O    24.5122  -16.8863
            9   C8y C    23.3447  -13.4240
            10  C8x C    20.9919  -13.4240
            11  C1x C    25.7031  -14.5741
            12  C1x C    20.9861  -17.4671
            13  N1y N    25.7031  -16.0554
            14  C1x C    24.5878  -14.1095
            15  C1x C    22.1595  -18.1410
            16  C8x C    23.3447  -12.0703
            17  C8y C    20.9919  -12.0703
            18  C1b C    27.0508  -16.0554
            19  C8x C    22.1827  -11.3908
            20  O1a O    19.8243  -11.3908
            21  C1y C    27.7304  -17.2289
            22  C1x C    27.3819  -18.5360
            23  C1x C    29.0492  -17.5715
            24  C1x C    28.6948  -18.8786
BOND        28
            1     1   2 1
            2     1   3 1
            3     1   4 1 #Up
            4     1   5 1
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 2
            9     3  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1 #Up
            13    6  14 1
            14    7  15 1
            15    9  16 1
            16   10  17 2
            17   13  18 1
            18   16  19 2
            19   17  20 1
            20   18  21 1
            21   21  22 1
            22   21  23 1
            23   22  24 1
            24    9  14 1
            25   13  11 1 #Up
            26   12  15 1
            27   17  19 1
            28   23  24 1

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