KEGG   DRUG: HexylresorcinolHelp
Entry
D04441                      Drug                                   

Name
Hexylresorcinol (USP)
Formula
C12H18O2
Exact mass
194.1307
Mol weight
194.2701
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: R02AA12
Efficacy
Anthelmintic, Antiseptic
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AA Antiseptics
     R02AA12 Hexylresorcinol
      D04441  Hexylresorcinol (USP)
BRITE hierarchy
Other DBs
CAS: 136-77-6
PubChem: 47206311
ChEMBL: CHEMBL443605
LigandBox: D04441
NIKKAJI: J2.020F
LinkDB All DBs
KCF data Show

ATOM        14
            1   C8x C    24.7944  -17.5000
            2   C8y C    24.7944  -16.1000
            3   C8x C    26.0068  -18.2000
            4   C8y C    27.2192  -17.5000
            5   C8y C    27.2192  -16.1000
            6   C8x C    26.0068  -15.4000
            7   O1a O    23.5819  -15.4000
            8   O1a O    28.4317  -15.4000
            9   C1b C    28.4317  -18.2000
            10  C1b C    29.6441  -17.5000
            11  C1b C    30.8565  -18.2000
            12  C1b C    32.0690  -17.5000
            13  C1b C    33.2814  -18.2000
            14  C1a C    34.4938  -17.5000
BOND        14
            1     1   2 1
            2     1   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     2   6 2
            7     2   7 1
            8     5   8 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13   13  14 1
            14    4   9 1

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