KEGG   DRUG: Xylometazoline hydrochloride
Entry
D00757                      Drug                                   
Name
Xylometazoline hydrochloride (USP);
Neo-Synephrine II (TN)
Formula
C16H24N2. HCl
Exact mass
280.1706
Mol weight
280.8361
Structure
Simcomp
Remark
ATC code: R01AA07 R01AB06 S01GA03
Chemical structure group: DG01031
Efficacy
Vasoconstrictor, alpha-Adrenergic receptor agonist
Comment
Imidazoline derivative
Target
ADRA1 [HSA:148 147 146] [KO:K04135 K04136 K04137]
ADRA2 [HSA:150 151 152] [KO:K04138 K04139 K04140]
  Pathway
hsa04080  Neuroactive ligand-receptor interaction
hsa04270  Vascular smooth muscle contraction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 R RESPIRATORY SYSTEM
  R01 NASAL PREPARATIONS
   R01A DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
    R01AA Sympathomimetics, plain
     R01AA07 Xylometazoline
      D00757  Xylometazoline hydrochloride (USP)
    R01AB Sympathomimetics, combinations excl. corticosteroids
     R01AB06 Xylometazoline
      D00757  Xylometazoline hydrochloride (USP)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01G DECONGESTANTS AND ANTIALLERGICS
    S01GA Sympathomimetics used as decongestants
     S01GA03 Xylometazoline
      D00757  Xylometazoline hydrochloride (USP)
Target-based classification of drugs [BR:br08310]
 G Protein-coupled receptors
  Rhodopsin family
   Adrenaline
    ADRA1
     D00757  Xylometazoline hydrochloride (USP)
    ADRA2
     D00757  Xylometazoline hydrochloride (USP)
Rx-to-OTC switch list in the USA [br08315.html]
 D00757
Other DBs
CAS: 1218-35-5
PubChem: 7847822
LigandBox: D00757
NIKKAJI: J349.691K
KCF data

ATOM        19
            1   X   Cl   23.2400  -24.5000
            2   C8y C    17.0100  -19.5300
            3   C8x C    17.0100  -20.9300
            4   C8y C    18.2224  -21.6300
            5   C8x C    19.4349  -20.9300
            6   C8y C    19.4349  -19.5300
            7   C8y C    18.2224  -18.8300
            8   C1b C    18.2224  -17.4302
            9   C2y C    19.4180  -16.7398
            10  N1x N    20.7216  -17.1621
            11  C1x C    21.5287  -16.0545
            12  C1x C    20.7247  -14.9448
            13  N2x N    19.4208  -15.3665
            14  C1a C    20.6660  -18.8190
            15  C1d C    18.2224  -23.0298
            16  C1a C    15.7976  -18.8300
            17  C1a C    19.6224  -23.0298
            18  C1a C    16.8224  -23.0298
            19  C1a C    18.2224  -24.4298
BOND        19
            1     2   3 2
            2     3   4 1
            3     4   5 2
            4     5   6 1
            5     6   7 2
            6     2   7 1
            7     7   8 1
            8     8   9 1
            9     9  10 1
            10   10  11 1
            11   11  12 1
            12   12  13 1
            13    9  13 2
            14    6  14 1
            15    4  15 1
            16    2  16 1
            17   15  17 1
            18   15  18 1
            19   15  19 1

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Ontology (3)   
   KEGG BRITE (3)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (2)   
   PubChem (1)   
   NIKKAJI (1)   
Gene (12)   
   KEGG ORTHOLOGY (6)   
   KEGG GENES (6)   
All databases (19)   

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