KEGG   DRUG: OxybuprocaineHelp
Entry
D08319                      Drug                                   

Name
Oxybuprocaine (INN);
Monofree oxybuprocaine (TN)
Formula
C17H28N2O3
Exact mass
308.21
Mol weight
308.4158
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
ATC code: D04AB03 S01HA02
Chemical structure group: DG00392
Product (DG00392): D01768<JP>
Efficacy
Anesthetic (local)
Target
SCN1A [HSA:6323] [KO:K04833]
SCN2A [HSA:6326] [KO:K04834]
SCN3A [HSA:6328] [KO:K04836]
SCN4A [HSA:6329] [KO:K04837]
SCN5A [HSA:6331] [KO:K04838]
SCN8A [HSA:6334] [KO:K04840]
SCN9A [HSA:6335] [KO:K04841]
SCN10A [HSA:6336] [KO:K04842]
SCN11A [HSA:11280] [KO:K04843]
  Pathway
hsa04728  Dopaminergic synapse
Structure map
map07015  Local analgesics
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
     D04AB03 Oxybuprocaine
      D08319  Oxybuprocaine (INN)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01H LOCAL ANESTHETICS
    S01HA Local anesthetics
     S01HA02 Oxybuprocaine
      D08319  Oxybuprocaine (INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D08319  Oxybuprocaine (INN)
    SCN2A
     D08319  Oxybuprocaine (INN)
    SCN3A
     D08319  Oxybuprocaine (INN)
    SCN4A
     D08319  Oxybuprocaine (INN)
    SCN5A
     D08319  Oxybuprocaine (INN)
    SCN8A
     D08319  Oxybuprocaine (INN)
    SCN9A
     D08319  Oxybuprocaine (INN)
    SCN10A
     D08319  Oxybuprocaine (INN)
    SCN11A
     D08319  Oxybuprocaine (INN)
BRITE hierarchy
Other DBs
CAS: 99-43-4
PubChem: 96025006
ChEBI: 309594
ChEMBL: CHEMBL1200
DrugBank: DB00892
LigandBox: D08319
NIKKAJI: J4.969G
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8y C    21.7000  -17.5700
            2   C8y C    21.7000  -16.1700
            3   C8x C    22.9600  -15.4700
            4   C8x C    24.1500  -16.1700
            5   C8y C    24.1500  -17.5700
            6   C8x C    22.9600  -18.2700
            7   C7a C    25.3400  -18.2700
            8   O7a O    26.5300  -17.5700
            9   C1b C    27.7900  -18.2700
            10  C1b C    28.9800  -17.5700
            11  N1c N    30.1700  -18.2700
            12  C1b C    31.4300  -17.5700
            13  C1a C    32.6200  -18.2700
            14  O6a O    25.3400  -19.6700
            15  C1b C    30.1700  -19.6700
            16  C1a C    31.4300  -20.3700
            17  N1a N    20.5100  -15.4700
            18  O2a O    20.5100  -18.2700
            19  C1b C    19.3200  -17.5700
            20  C1b C    18.0600  -18.2700
            21  C1b C    16.8700  -17.5700
            22  C1a C    15.6800  -18.2700
BOND        22
            1    10  11 1
            2     4   5 1
            3    11  12 1
            4     5   6 2
            5    12  13 1
            6     6   1 1
            7     7  14 2
            8    11  15 1
            9     5   7 1
            10   15  16 1
            11    2  17 1
            12    7   8 1
            13    1  18 1
            14    1   2 2
            15   18  19 1
            16    8   9 1
            17   19  20 1
            18    2   3 1
            19   20  21 1
            20    9  10 1
            21   21  22 1
            22    3   4 2

» Japanese version   » Back

KEGG   DRUG: Benoxinate hydrochlorideHelp
Entry
D01768                      Drug                                   

Name
Benoxinate hydrochloride (USP);
Oxybuprocaine hydrochloride (JP17);
Benoxil (TN)
Formula
C17H28N2O3. HCl
Exact mass
344.1867
Mol weight
344.8768
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Therapeutic category: 1313
ATC code: D04AB03 S01HA02
Chemical structure group: DG00392
Product (DG00392): D01768<JP>
Product (mixture): D11645<US>
Efficacy
Anesthetic (topical)
Target
SCN1A [HSA:6323] [KO:K04833]
SCN2A [HSA:6326] [KO:K04834]
SCN3A [HSA:6328] [KO:K04836]
SCN4A [HSA:6329] [KO:K04837]
SCN5A [HSA:6331] [KO:K04838]
SCN8A [HSA:6334] [KO:K04840]
SCN9A [HSA:6335] [KO:K04841]
SCN10A [HSA:6336] [KO:K04842]
SCN11A [HSA:11280] [KO:K04843]
  Pathway
hsa04728  Dopaminergic synapse
Structure map
map07015  Local analgesics
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
     D04AB03 Oxybuprocaine
      D01768  Benoxinate hydrochloride (USP) <JP>
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01H LOCAL ANESTHETICS
    S01HA Local anesthetics
     S01HA02 Oxybuprocaine
      D01768  Benoxinate hydrochloride (USP) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  13  Agents affecting sensory organs
   131  Ophthalmic agents
    1313  Ophthalmic local anesthetics
     D01768  Benoxinate hydrochloride (USP); Oxybuprocaine hydrochloride (JP17)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D01768  Benoxinate hydrochloride (USP) <JP>
    SCN2A
     D01768  Benoxinate hydrochloride (USP) <JP>
    SCN3A
     D01768  Benoxinate hydrochloride (USP) <JP>
    SCN4A
     D01768  Benoxinate hydrochloride (USP) <JP>
    SCN5A
     D01768  Benoxinate hydrochloride (USP) <JP>
    SCN8A
     D01768  Benoxinate hydrochloride (USP) <JP>
    SCN9A
     D01768  Benoxinate hydrochloride (USP) <JP>
    SCN10A
     D01768  Benoxinate hydrochloride (USP) <JP>
    SCN11A
     D01768  Benoxinate hydrochloride (USP) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01768  Oxybuprocaine hydrochloride
BRITE hierarchy
Other DBs
CAS: 5987-82-6
PubChem: 7848831
ChEBI: 31260
ChEMBL: CHEMBL1200654
DrugBank: DB00892
LigandBox: D01768
NIKKAJI: J231.218B
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8y C    29.6264  -16.7756
            2   C8y C    29.6264  -15.3737
            3   C8x C    30.8434  -14.6727
            4   C8x C    32.0533  -15.3737
            5   C8y C    32.0533  -16.7756
            6   C8x C    30.8434  -17.4765
            7   C7a C    33.2586  -17.4765
            8   O7a O    34.4693  -16.7756
            9   C1b C    35.6801  -17.4765
            10  C1b C    36.8908  -16.7756
            11  N1c N    38.1015  -17.4765
            12  C1b C    39.3123  -16.7756
            13  C1a C    40.5230  -17.4765
            14  O6a O    33.2572  -18.8784
            15  C1b C    38.1015  -18.8784
            16  C1a C    39.3157  -19.5794
            17  N1a N    28.4126  -14.6720
            18  O2a O    28.4126  -17.4770
            19  C1b C    27.1978  -16.7825
            20  C1b C    25.9870  -17.4835
            21  C1b C    24.7763  -16.7897
            22  C1a C    23.5656  -17.4906
            23  X   Cl   40.0158  -14.7191
BOND        22
            1    10  11 1
            2     4   5 1
            3    11  12 1
            4     5   6 2
            5    12  13 1
            6     6   1 1
            7     7  14 2
            8    11  15 1
            9     5   7 1
            10   15  16 1
            11    2  17 1
            12    7   8 1
            13    1  18 1
            14    1   2 2
            15   18  19 1
            16    8   9 1
            17   19  20 1
            18    2   3 1
            19   20  21 1
            20    9  10 1
            21   21  22 1
            22    3   4 2

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