KEGG   DRUG: CyclandelateHelp
Entry
D00286                      Drug                                   

Name
Cyclandelate (JAN/USP/INN);
Cyclospasmol (TN)
Formula
C17H24O3
Exact mass
276.1725
Mol weight
276.3707
Structure
Mol fileKCF fileDB search
Remark
ATC code: C04AX01
Efficacy
Vasodilator
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C04 PERIPHERAL VASODILATORS
   C04A PERIPHERAL VASODILATORS
    C04AX Other peripheral vasodilators
     C04AX01 Cyclandelate
      D00286  Cyclandelate (JAN/USP/INN)
BRITE hierarchy
Other DBs
CAS: 456-59-7
PubChem: 7847352
ChEBI: 3988
ChEMBL: CHEMBL1480987
LigandBox: D00286
NIKKAJI: J2.048F
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8x C    13.3000  -16.1000
            2   C8x C    13.3000  -17.5000
            3   C8x C    14.5124  -18.2000
            4   C8x C    15.7249  -17.5000
            5   C8y C    15.7249  -16.1000
            6   C8x C    14.5124  -15.4000
            7   C1c C    16.9560  -15.3890
            8   C7a C    18.1612  -16.0847
            9   O1a O    16.9557  -14.0001
            10  O7a O    19.3435  -15.4019
            11  O6a O    18.1616  -17.4996
            12  C1y C    20.5375  -16.0912
            13  C1x C    20.5376  -17.4997
            14  C1z C    21.7501  -18.1996
            15  C1x C    22.9625  -17.4995
            16  C1y C    22.9623  -16.0909
            17  C1x C    21.7498  -15.3911
            18  C1a C    24.1690  -15.3941
            19  C1a C    20.7602  -19.1895
            20  C1a C    22.7401  -19.1895
BOND        21
            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 1
            10    8  10 1
            11    8  11 2
            12   10  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   12  17 1
            19   16  18 1
            20   14  19 1
            21   14  20 1

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