KEGG   DRUG: Cicletanine
Entry
D03487                      Drug                                   
Name
Cicletanine (USAN/INN)
Formula
C14H12ClNO2
Exact mass
261.0557
Mol weight
261.7036
Structure
Simcomp
Remark
ATC code: C03BX03
Chemical structure group: DG00271
Efficacy
Antihypertensive, Diuretic
Comment
Fropyridine derivative
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C03 DIURETICS
   C03B LOW-CEILING DIURETICS, EXCL. THIAZIDES
    C03BX Other low-ceiling diuretics
     C03BX03 Cicletanine
      D03487  Cicletanine (USAN/INN)
Other DBs
CAS: 89943-82-8
PubChem: 17397623
LigandBox: D03487
NIKKAJI: J55.610F
KCF data

ATOM        18
            1   C8y C    24.4915  -15.3406
            2   C8y C    25.6868  -16.0520
            3   C8y C    23.2730  -16.0461
            4   C1x C    24.7890  -13.9762
            5   C1y C    26.7305  -15.1249
            6   C8x C    25.6926  -17.4455
            7   C8y C    23.2730  -17.4455
            8   O1a O    22.0543  -15.3406
            9   O2x O    26.1765  -13.8422
            10  N5x N    24.4915  -18.1452
            11  C1a C    22.0583  -18.1485
            12  C8y C    28.1305  -15.1249
            13  C8x C    28.8308  -16.3377
            14  C8x C    30.2308  -16.3377
            15  C8y C    30.9308  -15.1253
            16  C8x C    30.2305  -13.9125
            17  C8x C    28.8305  -13.9125
            18  X   Cl   32.3400  -15.1253
BOND        20
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     6  10 2
            10    5   9 1
            11    7  10 1
            12    7  11 1
            13    5  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20   15  18 1

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Ontology (1)   
   KEGG BRITE (1)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
All databases (5)   

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