KEGG   COMPOUND: C11114
Entry
C11114                      Compound                               
Name
Methapyrilene
Formula
C14H19N3S
Exact mass
261.1300
Mol weight
261.39
Structure
Remark
ATC code: R06AC05
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AC Substituted ethylene diamines
     R06AC05 Methapyrilene
      C11114  Methapyrilene
Other DBs
CAS: 91-80-5
PubChem: 13296
ChEBI: 6820
NIKKAJI: J4.348F
LinkDB
KCF data

ATOM        18
            1   C8x C    23.6688  -19.8235
            2   C8x C    23.2277  -18.4908
            3   S2x S    24.3661  -17.6680
            4   C8y C    25.5046  -18.4908
            5   C8x C    25.0706  -19.8235
            6   C8x C    29.1394  -20.5901
            7   C8x C    29.1394  -21.9919
            8   C8x C    27.9215  -22.6893
            9   C8x C    26.7109  -21.9919
            10  N5x N    26.7109  -20.5901
            11  C8y C    27.9215  -19.8856
            12  N1c N    27.9278  -18.4908
            13  C1b C    26.7163  -17.7934
            14  C1b C    29.1394  -17.8005
            15  C1b C    30.3440  -18.4979
            16  N1c N    31.5557  -17.8076
            17  C1a C    32.7672  -18.5050
            18  C1a C    31.5626  -16.4058
BOND        19
            1     7   8 2
            2     8   9 1
            3     9  10 2
            4    10  11 1
            5    11   6 2
            6    11  12 1
            7     1   2 2
            8    12  13 1
            9    13   4 1
            10    2   3 1
            11   12  14 1
            12    3   4 1
            13   14  15 1
            14    4   5 2
            15   15  16 1
            16    5   1 1
            17   16  17 1
            18    6   7 1
            19   16  18 1

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