KEGG   COMPOUND: C07506Help
Entry
C07506                      Compound                               

Name
Propantheline
Formula
C23H30NO3
Exact mass
368.2226
Mol weight
368.4892
Structure
Mol fileKCF fileDB search
Remark
ATC code: A03AB05
Drug group: DG00035
Brite
Target-based classification of compounds [BR:br08010]
 G Protein-coupled receptors
  Rhodopsin family: amine receptors
   Acetylcholine (muscarinic)
    muscarinic cholinergic receptor
     C07506  Propantheline
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A03 DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
   A03A DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS
    A03AB Synthetic anticholinergics, quaternary ammonium compounds
     A03AB05 Propantheline
      C07506  Propantheline
BRITE hierarchy
Other DBs
CAS: 298-50-0
PubChem: 9709
ChEBI: 8481
ChEMBL: CHEMBL1180725
NIKKAJI: J5.464J
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1y C    24.7933  -20.8572
            2   C8y C    23.5879  -21.5560
            3   C8y C    26.0744  -21.5443
            4   C7a C    24.7933  -19.4596
            5   C8y C    23.5936  -22.9595
            6   C8x C    22.3765  -20.8631
            7   C8y C    26.0104  -22.9478
            8   C8x C    27.2099  -20.8398
            9   O7a O    25.9928  -18.7491
            10  O6a O    23.5762  -18.7550
            11  O2x O    24.8049  -23.6581
            12  C8x C    22.3824  -23.6640
            13  C8x C    21.1654  -21.5619
            14  C8x C    27.2332  -23.6465
            15  C8x C    28.4386  -21.5210
            16  C1b C    25.9928  -17.3574
            17  C8x C    21.1595  -22.9652
            18  C8x C    28.4502  -22.9362
            19  C1b C    27.2041  -16.6586
            20  N1d N    27.2041  -15.2669 #+
            21  C1c C    28.4210  -14.5681
            22  C1c C    25.9928  -14.5681
            23  C1a C    28.4210  -15.9657
            24  C1a C    28.4210  -13.1763
            25  C1a C    29.6324  -15.2669
            26  C1a C    25.9870  -13.1706
            27  C1a C    24.7874  -15.2727
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     4  10 2
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 2
            15    9  16 1
            16   12  17 2
            17   14  18 2
            18   16  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   20  23 1
            23   21  24 1
            24   21  25 1
            25   22  26 1
            26   22  27 1
            27    7  11 1
            28   13  17 1
            29   15  18 1

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