KEGG   DRUG: Undecylenic acidHelp
Entry
D02159                      Drug                                   

Name
Undecylenic acid (JAN/USP);
Cruex (TN)
Formula
C11H20O2
Exact mass
184.1463
Mol weight
184.2753
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Same as: C13910
ATC code: D01AE04
Chemical structure group: DG00373
Efficacy
Antifungal
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 D DERMATOLOGICALS
  D01 ANTIFUNGALS FOR DERMATOLOGICAL USE
   D01A ANTIFUNGALS FOR TOPICAL USE
    D01AE Other antifungals for topical use
     D01AE04 Undecylenic acid
      D02159  Undecylenic acid (JAN/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for integumentary system
  58 Ringworm drugs
   D02159  Undecylenic acid (JAN/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Third-class OTC drugs
  Inorganic and organic chemicals
   Undecylenic acid
    D02159  Undecylenic acid (JAN/USP)
BRITE hierarchy
Other DBs
CAS: 112-38-9
PubChem: 7849220
ChEBI: 35045
ChEMBL: CHEMBL1276010
LigandBox: D02159
NIKKAJI: J5.125J
LinkDB All DBs
KCF data Show

ATOM        13
            1   C2a C    23.6119  -17.6901
            2   C2b C    22.4009  -18.3888
            3   C1b C    21.1898  -17.6901
            4   C1b C    19.9787  -18.3888
            5   C6a C    18.7677  -17.6901
            6   O6a O    17.5566  -18.3888
            7   O6a O    18.7677  -16.2927
            8   C1b C    21.1898  -17.6901
            9   C1b C    19.9787  -18.3888
            10  C1b C    21.1898  -17.6901
            11  C1b C    19.9787  -18.3888
            12  C1b C    21.1898  -17.6901
            13  C1b C    19.9787  -18.3888
BOND        12
            1     1   2 2
            2     5   6 1
            3     5   7 2
            4     2   3 1
            5     3   4 1
            6     4   8 1
            7     8   9 1
            8     9  10 1
            9    10  11 1
            10   11  12 1
            11   12  13 1
            12   13   5 1
BRACKET     1    19.8100  -19.3900   19.8100  -17.2900
            1    21.3500  -17.2900   21.3500  -19.3900
            1  4
 ORIGINAL  1    3   4
 REPEAT    1    8   9  10  11  12  13

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