KEGG   DRUG: Propylene glycol dilaurate
Entry
D08979                      Drug                                   
Name
Propylene glycol dilaurate (NF)
Formula
C27H52O4
Exact mass
440.3866
Mol weight
440.70
Structure
Simcomp
Efficacy
Pharmaceutic aid (vehicle, oleaginous)
Other DBs
CAS: 22788-19-8
PubChem: 96025662
LigandBox: D08979
NIKKAJI: J45.504K
LinkDB
KCF data

ATOM        31
            1   C1a C    10.2900  -15.5400
            2   C1b C    11.5024  -16.2400
            3   C1b C    12.7149  -15.5400
            4   C1b C    13.9273  -16.2400
            5   C1b C    15.1397  -15.5400
            6   C1b C    16.3522  -16.2400
            7   C1b C    17.5646  -15.5400
            8   C1b C    18.7770  -16.2400
            9   C1b C    19.9895  -15.5400
            10  C1b C    21.2019  -16.2400
            11  C1b C    22.4144  -15.5400
            12  C7a C    23.6268  -16.2400
            13  O7a O    24.8392  -15.5400
            14  C1c C    26.0517  -16.2400
            15  C1b C    27.2641  -15.5400
            16  O7a O    28.4765  -16.2400
            17  C7a C    29.6890  -15.5400
            18  C1b C    30.9014  -16.2400
            19  C1b C    32.1138  -15.5400
            20  C1b C    33.3263  -16.2400
            21  C1b C    34.5387  -15.5400
            22  C1b C    35.7511  -16.2400
            23  C1b C    36.9636  -15.5400
            24  C1b C    38.1760  -16.2400
            25  C1b C    39.3885  -15.5400
            26  C1b C    40.6009  -16.2400
            27  C1b C    41.8133  -15.5400
            28  C1a C    43.0258  -16.2400
            29  O6a O    23.6268  -17.6396
            30  O6a O    29.6890  -14.1400
            31  C1a C    26.0517  -17.6400
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1
            18   18  19 1
            19   19  20 1
            20   20  21 1
            21   21  22 1
            22   22  23 1
            23   23  24 1
            24   24  25 1
            25   25  26 1
            26   26  27 1
            27   27  28 1
            28   12  29 2
            29   17  30 2
            30   14  31 1

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