KEGG   COMPOUND: C06913Help
Entry
C06913                      Compound                               

Name
Clemastine
Formula
C21H26ClNO
Exact mass
343.1703
Mol weight
343.8902
Structure
Mol fileKCF fileDB search
Remark
Same as: D03535
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
   D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
    D04AA Antihistamines for topical use
     D04AA14 Clemastine
      D03535  Clemastine (USAN)
 R RESPIRATORY SYSTEM
  R06 ANTIHISTAMINES FOR SYSTEMIC USE
   R06A ANTIHISTAMINES FOR SYSTEMIC USE
    R06AA Aminoalkyl ethers
     R06AA04 Clemastine
      D03535  Clemastine (USAN)
USP drug classification [BR:br08302]
 Respiratory Tract/Pulmonary Agents
  Antihistamines
   Clemastine
    D03535  Clemastine (USAN)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Clemastine
    D03535  Clemastine (USAN)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Histamine
    HRH1
     D03535  Clemastine (USAN)
BRITE hierarchy
Other DBs
CAS: 15686-51-8
PubChem: 9130
ChEBI: 3738
ChEMBL: CHEMBL1626 CHEMBL3637926
NIKKAJI: J9.658J
LinkDB All DBs
KCF data Show

ATOM        24
            1   C1y C    27.6126  -13.0329
            2   N1y N    27.6126  -11.6320
            3   C1a C    26.3787  -10.9196
            4   C1x C    28.9449  -13.4658
            5   C1x C    29.7683  -12.3324
            6   C1x C    28.9449  -11.1992
            7   C8x C    20.3732  -15.8299
            8   C8y C    20.3732  -17.2307
            9   C8x C    21.5863  -17.9311
            10  C8x C    22.7996  -17.2307
            11  C8y C    22.7996  -15.8299
            12  C8x C    21.5863  -15.1295
            13  C1d C    24.0127  -15.1295
            14  X   Cl   19.1601  -17.9311
            15  O2a O    24.0127  -13.7287
            16  C1b C    25.2279  -13.0271
            17  C1b C    26.4251  -13.7185
            18  C8x C    25.2258  -17.2307
            19  C8y C    25.2258  -15.8299
            20  C8x C    26.4390  -17.9311
            21  C8x C    27.6521  -17.2307
            22  C8x C    27.6521  -15.8299
            23  C8x C    26.4390  -15.1295
            24  C1a C    22.7996  -14.4291
BOND        26
            1     1   2 1
            2     2   3 1
            3     1   4 1
            4     4   5 1
            5     5   6 1
            6     2   6 1
            7     7   8 2
            8     8   9 1
            9     9  10 2
            10   10  11 1
            11   11  12 2
            12    7  12 1
            13   11  13 1
            14    8  14 1
            15   13  15 1
            16   15  16 1
            17   16  17 1
            18   18  19 1
            19   18  20 2
            20   20  21 1
            21   21  22 2
            22   22  23 1
            23   19  23 2
            24   13  19 1 #Down
            25   13  24 1 #Up
            26    1  17 1 #Down

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