KEGG   DRUG: Itruvone
Entry
D12542                      Drug                                   
Name
Itruvone (USAN/INN)
Formula
C21H28O
Exact mass
296.2140
Mol weight
296.45
Structure
Efficacy
Antidepressant
Comment
Treatment of major depressive disorder
Other DBs
CAS: 21321-89-1
PubChem: 497620955
LinkDB
KCF data

ATOM        22
            1   C1x C     7.4200  -16.8700
            2   C5x C     7.4200  -18.2700
            3   C2x C     8.6324  -18.9700
            4   C2y C     9.8449  -18.2700
            5   C1z C     9.8449  -16.8700
            6   C1x C     8.6324  -16.1700
            7   C1x C    11.0573  -18.9700
            8   C1x C    12.2697  -18.2700
            9   C1y C    12.2697  -16.8700
            10  C1y C    11.0573  -16.1700
            11  C1y C    13.4822  -16.1700
            12  C1z C    13.4822  -14.7700
            13  C1x C    12.2697  -14.0700
            14  C1x C    11.0573  -14.7700
            15  C1x C    15.9070  -16.1700
            16  C1x C    15.9070  -14.7700
            17  C1y C    14.6946  -14.0700
            18  C3b C    14.6946  -12.6700
            19  C3a C    14.6946  -11.2700
            20  C1a C    13.4822  -13.3700
            21  C1a C     9.8449  -15.4700
            22  O5x O     6.2076  -18.9700
BOND        25
            1     1   2 1
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17   11  15 1
            18   15  16 1
            19   16  17 1
            20   12  17 1
            21   17  18 1 #Up
            22   18  19 3
            23   12  20 1 #Up
            24    5  21 1 #Up
            25    2  22 2

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