KEGG   DRUG: Dioxaphetyl butyrate
Entry
D12699                      Drug                                   
Name
Dioxaphetyl butyrate (INN)
Formula
C22H27NO3
Exact mass
353.1991
Mol weight
353.45
Structure
Class
Analgesic
 DG01984  Opioid analgesics
Efficacy
Analgesic (narcotic)
Interaction
Brite
Drug groups [BR:br08330]
 Analgesic
  DG01984  Opioid analgesics
   D12699  Dioxaphetyl butyrate
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Control Act Article 2 Table 1 (76 substances)
  D12699
Other DBs
CAS: 467-86-7
PubChem: 497621112
LinkDB
KCF data

ATOM        26
            1   C8x C    15.5209  -18.3804
            2   C8x C    15.5209  -19.7723
            3   C8x C    16.7040  -20.4683
            4   C8x C    17.8872  -19.7723
            5   C8y C    17.8872  -18.3804
            6   C8x C    16.7040  -17.7540
            7   C8x C    20.1838  -19.7723
            8   C8y C    20.1838  -18.3804
            9   C1d C    19.0007  -17.7540
            10  C8x C    21.3670  -20.4683
            11  C8x C    22.5501  -19.7723
            12  C8x C    22.5501  -18.3804
            13  C8x C    21.3670  -17.7540
            14  C1b C    19.0007  -16.3620
            15  C1b C    20.1838  -15.6661
            16  C7a C    17.0520  -16.6404
            17  O7a O    15.8689  -17.3364
            18  N1y N    20.1838  -14.2737
            19  C1x C    21.3925  -13.5758
            20  C1x C    21.3925  -12.1835
            21  O2x O    20.1867  -11.4873
            22  C1x C    18.9780  -12.1851
            23  C1x C    18.9780  -13.5775
            24  O6a O    17.0520  -15.2404
            25  C1b C    14.6565  -16.6364
            26  C1a C    13.4440  -17.3364
BOND        28
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     7   8 1
            8     8   9 1
            9     5   9 1
            10    7  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14    8  13 2
            15    9  14 1
            16   14  15 1
            17    9  16 1
            18   16  17 1
            19   15  18 1
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   18  23 1
            26   16  24 2
            27   17  25 1
            28   25  26 1

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