KEGG   DRUG: BenactyzineHelp
Entry
D07498                      Drug                                   

Name
Benactyzine (INN)
Formula
C20H25NO3
Exact mass
327.1834
Mol weight
327.4174
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Efficacy
Antianxiety, Bronchodilator
Other DBs
CAS: 302-40-9
PubChem: 51091823
ChEMBL: CHEMBL70352
LigandBox: D07498
NIKKAJI: J5.480A
LinkDB All DBs
KCF data Show

ATOM        24
            1   C1a C    17.0800  -19.3200
            2   C1b C    18.3400  -18.6200
            3   N1c N    19.5300  -19.3200
            4   C1b C    20.7200  -18.6200
            5   C1b C    21.9800  -19.3200
            6   O7a O    23.1700  -18.6200
            7   C7a C    24.3600  -19.3200
            8   C1d C    25.6200  -18.6200
            9   C8y C    26.8100  -19.3200
            10  C8y C    25.6200  -17.2200
            11  C8x C    26.8100  -16.5200
            12  C8x C    26.8100  -15.1200
            13  C8x C    25.5500  -14.4200
            14  C8x C    24.3600  -15.1200
            15  C8x C    24.3600  -16.5200
            16  C8x C    26.8100  -20.7200
            17  C8x C    28.0000  -21.4200
            18  C8x C    29.2600  -20.7200
            19  C8x C    29.2600  -19.3200
            20  C8x C    28.0000  -18.6200
            21  O6a O    24.3600  -20.7200
            22  C1b C    19.5300  -20.7200
            23  C1a C    18.3400  -21.4200
            24  O1a O    26.8100  -17.9200
BOND        25
            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     8  10 1
            10   10  11 1
            11   11  12 2
            12   12  13 1
            13   13  14 2
            14   14  15 1
            15   10  15 2
            16    9  16 2
            17   16  17 1
            18   17  18 2
            19   18  19 1
            20   19  20 2
            21    9  20 1
            22    7  21 2
            23    3  22 1
            24   22  23 1
            25    8  24 1

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