KEGG   DRUG: QuinisocaineHelp
Entry
D08462                      Drug                                   

Name
Quinisocaine (INN);
Dimethisoquin
Formula
C17H24N2O
Exact mass
272.1889
Mol weight
272.3853
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: D04AB05
Chemical structure group: DG00393
Efficacy
Anesthetic (topical), Antipruritic
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
   D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
    D04AB Anesthetics for topical use
     D04AB05 Quinisocaine
      D08462  Quinisocaine (INN)
BRITE hierarchy
Other DBs
CAS: 86-80-6
PubChem: 96025148
ChEMBL: CHEMBL127643
LigandBox: D08462
NIKKAJI: J4.266H
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8y C    21.2100  -19.6000
            2   C8x C    21.2100  -18.2000
            3   C8y C    22.4000  -17.5000
            4   C8y C    23.6600  -18.2700
            5   C8y C    23.6600  -19.6700
            6   N5x N    22.4000  -20.3700
            7   C8x C    22.4000  -16.1000
            8   C8x C    23.6600  -15.4700
            9   C8x C    24.8500  -16.1700
            10  C8x C    24.8500  -17.5700
            11  O2a O    24.8500  -20.3700
            12  C1b C    26.0400  -19.6700
            13  C1b C    20.0200  -20.3000
            14  C1b C    18.8300  -19.6000
            15  C1b C    17.6400  -20.3000
            16  C1b C    27.3000  -20.3700
            17  N1c N    28.4900  -19.6700
            18  C1a C    29.6800  -20.3700
            19  C1a C    28.4900  -18.2700
            20  C1a C    16.3800  -19.6000
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     3   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    4  10 1
            12    5  11 1
            13   11  12 1
            14    1  13 1
            15   13  14 1
            16   14  15 1
            17   12  16 1
            18   16  17 1
            19   17  18 1
            20   17  19 1
            21   15  20 1

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