KEGG   DRUG: Benzocaine
Entry
D00552                      Drug                                   

Name
Benzocaine (USP/INN);
Ethyl aminobenzoate (JP18);
Parathesin (TN)
Formula
C9H11NO2
Exact mass
165.079
Mol weight
165.1891
Structure
Simcomp
Class
Neuropsychiatric agent
 DG02030  Anesthetics
  DG01675  Local anesthetic
   DG01674  Esterified local anesthetic
Remark
Same as: C07527
Therapeutic category: 2710
ATC code: C05AD03 D02BA01 D04AB04 N01BA05 R02AD01
Chemical structure group: DG00379
Product (DG00379): D00552<JP>
Product (mixture): D04814<JP> D04816<JP> D04879<JP> D07742<JP>
Efficacy
Analgesic, Anesthetic (topical), Antipruritic
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
Interaction
Structure map
map07015  Local analgesics
map07110  Benzoic acid family
map07231  Sodium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C05 VASOPROTECTIVES
   C05A AGENTS FOR TREATMENT OF HEMORRHOIDS AND ANAL FISSURES FOR TOPICAL USE
    C05AD Local anesthetics
     C05AD03 Benzocaine
      D00552  Benzocaine (USP/INN) <JP>
 D DERMATOLOGICALS
  D02 EMOLLIENTS AND PROTECTIVES
   D02B PROTECTIVES AGAINST UV-RADIATION
    D02BA Protectives against UV-radiation for topical use
     D02BA01 Aminobenzoic acid
      D00552  Benzocaine (USP/INN) <JP>
  D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
   D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
    D04AB Anesthetics for topical use
     D04AB04 Benzocaine
      D00552  Benzocaine (USP/INN) <JP>
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01B ANESTHETICS, LOCAL
    N01BA Esters of aminobenzoic acid
     N01BA05 Benzocaine
      D00552  Benzocaine (USP/INN) <JP>
 R RESPIRATORY SYSTEM
  R02 THROAT PREPARATIONS
   R02A THROAT PREPARATIONS
    R02AD Anesthetics, local
     R02AD01 Benzocaine
      D00552  Benzocaine (USP/INN) <JP>
Therapeutic category of drugs in Japan [BR:br08301]
 2  Agents affecting individual organs
  27  Dental preparations
   271  Local anesthetics
    2710  Local anesthetics
     D00552  Benzocaine (USP/INN); Ethyl aminobenzoate (JP18)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for digestive organs
  15 Stomach pain and cramp relievers
   D00552  Benzocaine (USP/INN)
 Agents for  urogenital organs and anus
  30 Hemorrhoid drugs for external use
   D00552  Benzocaine (USP/INN)
 Agents for integumentary system
  57 Analgesic, antipruritic, astringent, and anti-inflammatory remedies (incl. gel patches)
   D00552  Benzocaine (USP/INN)
 Agents for otolaryngologic use
  72 Other agents for otolaryngologic use
   D00552  Benzocaine (USP/INN)
Risk category of Japanese OTC drugs [BR:br08312]
 Designated second-class OTC drugs
  Inorganic and organic chemicals
   Ethyl aminobenzoate
    D00552  Benzocaine (USP/INN)
 Second-class OTC drugs
  Inorganic and organic chemicals
   Ethyl aminobenzoate
    D00552  Benzocaine (USP/INN)
 Third-class OTC drugs
  Inorganic and organic chemicals
   Ethyl aminobenzoate
    D00552  Benzocaine (USP/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D00552  Benzocaine (USP/INN) <JP>
    SCN2A
     D00552  Benzocaine (USP/INN) <JP>
    SCN3A
     D00552  Benzocaine (USP/INN) <JP>
    SCN4A
     D00552  Benzocaine (USP/INN) <JP>
    SCN5A
     D00552  Benzocaine (USP/INN) <JP>
    SCN8A
     D00552  Benzocaine (USP/INN) <JP>
    SCN9A
     D00552  Benzocaine (USP/INN) <JP>
    SCN10A
     D00552  Benzocaine (USP/INN) <JP>
    SCN11A
     D00552  Benzocaine (USP/INN) <JP>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00552  Ethyl aminobenzoate
Other DBs
CAS: 94-09-7
PubChem: 7847618
ChEBI: 116735
ChEMBL: CHEMBL278172
DrugBank: DB01086
LigandBox: D00552
NIKKAJI: J4.690F
LinkDB
KCF data

ATOM        12
            1   C8y C    20.6329  -17.3424
            2   C7a C    21.8450  -18.0357
            3   C8x C    20.6329  -15.9380
            4   C8x C    19.4209  -18.0416
            5   O7a O    23.0569  -17.3424
            6   O6a O    21.8450  -19.4401
            7   C8x C    19.4209  -15.2330
            8   C8x C    18.2148  -17.3481
            9   C1b C    24.2688  -18.0299
            10  C8y C    18.2089  -15.9380
            11  C1a C    25.4808  -17.3365
            12  N1a N    16.9911  -15.2388
BOND        12
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     4   8 1
            8     5   9 1
            9     7  10 1
            10    9  11 1
            11   10  12 1
            12    8  10 2

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