KEGG   COMPOUND: C22808
Entry
C22808                      Compound                               
Name
Methylenedioxypyrovalerone;
MDPV;
1-(3,4-Methylenedioxyphenyl)-2-(pyrrolidin-1-yl)pentan-1-one
Formula
C16H21NO3
Exact mass
275.1521
Mol weight
275.34
Structure
Brite
Narcotics and psychotropics in Japan [br08308.html]
 Narcotics by Cabinet Order Article 1 (163 substances)
  C22808
Other DBs
CAS: 687603-66-3
PubChem: 497620163
ChEBI: 233286
LinkDB
KCF data

ATOM        20
            1   C8y C    15.4279  -15.2497
            2   C8y C    15.4279  -16.6454
            3   C8x C    16.6142  -17.3431
            4   C8x C    17.8703  -16.6454
            5   C8y C    17.8703  -15.2497
            6   C8x C    16.6142  -14.5519
            7   C5a C    19.1263  -14.5519
            8   C1c C    20.3126  -15.2497
            9   O5a O    19.1263  -13.1562
            10  O2x O    14.1021  -14.8310
            11  C1x C    13.2647  -15.9475
            12  O2x O    14.1021  -17.0640
            13  C1b C    20.3126  -16.6465
            14  N1y N    21.5250  -14.5497
            15  C1x C    22.7782  -15.1082
            16  C1x C    23.6966  -14.0889
            17  C1x C    23.0110  -12.9005
            18  C1x C    21.6689  -13.1853
            19  C1a C    21.5249  -18.7465
            20  C1b C    21.5250  -17.3465
BOND        22
            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     5   7 1
            8     7   8 1
            9     7   9 2
            10    1  10 1
            11   10  11 1
            12   11  12 1
            13    2  12 1
            14    8  13 1
            15    8  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   14  18 1
            21   19  20 1
            22   13  20 1

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