KEGG   DRUG: RaubasineHelp
Entry
D08470                      Drug                                   

Name
Raubasine (DCF);
Ajmalicine;
Lamuran (TN)
Formula
C21H24N2O3
Exact mass
352.1787
Mol weight
352.4269
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C09024
Efficacy
Vasodilator
Other DBs
CAS: 483-04-5
PubChem: 96025156
ChEBI: 2524
ChEMBL: CHEMBL123325
PDB-CCD: AJN[PDBj]
LigandBox: D08470
NIKKAJI: J13.108C
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8x C    12.8116  -16.4981
            2   C8x C    13.3339  -17.7933
            3   C8x C    14.7659  -17.8993
            4   C8x C    13.5949  -15.3675
            5   C8y C    14.9637  -15.5028
            6   C8y C    15.5492  -16.7687
            7   C1x C    17.1482  -12.4178
            8   C1x C    15.9408  -13.1299
            9   N1y N    18.3762  -13.0793
            10  C1y C    18.4260  -14.5161
            11  C1x C    19.5907  -15.2068
            12  C1x C    19.5835  -12.3672
            13  C1y C    20.7775  -13.1212
            14  C1y C    20.7980  -14.4947
            15  C2y C    21.9627  -15.1854
            16  C2x C    23.1701  -14.4733
            17  O2x O    23.1428  -13.0705
            18  C1y C    21.9848  -12.4091
            19  C1a C    21.9350  -10.9723
            20  C7a C    22.0126  -16.6222
            21  C8y C    17.2186  -15.2282
            22  C8y C    15.9907  -14.5668
            23  N4x N    16.9275  -16.5922
            24  O7a O    23.1432  -17.4055
            25  O6a O    20.7466  -17.2077
            26  C1a C    24.4210  -16.8015
BOND        30
            1     1   2 1
            2    21  10 1
            3     9   7 1
            4     7   8 1
            5    13  14 1
            6    14  15 1
            7    15  16 2
            8    16  17 1
            9    17  18 1
            10   18  13 1
            11    8  22 1
            12   18  19 1 #Down
            13    2   3 2
            14   15  20 1
            15    3   6 1
            16    5   4 1
            17    4   1 2
            18   21  22 2
            19   22   5 1
            20    6  23 1
            21   23  21 1
            22    9  10 1
            23   20  24 1
            24   10  11 1
            25   11  14 1
            26   20  25 2
            27   13  12 1
            28   12   9 1
            29    5   6 2
            30   24  26 1

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