KEGG   DRUG: DibucaineHelp
Entry
D00733                      Drug                                   

Name
Dibucaine (USP);
Cinchocaine (INN);
Nupercaine (TN)
Formula
C20H29N3O2
Exact mass
343.226
Mol weight
343.4632
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Neuropsychiatric agent
 DG02030  Anesthetics
  DG01675  Local anesthetic
   DG01673  Amide type local anesthetic
 DG01675  Local anesthetic
  DG01673  Amide type local anesthetic
Remark
Same as: C07879
ATC code: C05AD04 D04AB02 N01BB06 S01HA06 S02DA04
Chemical structure group: DG00297
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
Interaction
Drug interaction
Structure map
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
     C05AD04 Cinchocaine
      D00733  Dibucaine (USP)
 D DERMATOLOGICALS
  D04 ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
   D04A ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC.
    D04AB Anesthetics for topical use
     D04AB02 Cinchocaine
      D00733  Dibucaine (USP)
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01B ANESTHETICS, LOCAL
    N01BB Amides
     N01BB06 Cinchocaine
      D00733  Dibucaine (USP)
 S SENSORY ORGANS
  S01 OPHTHALMOLOGICALS
   S01H LOCAL ANESTHETICS
    S01HA Local anesthetics
     S01HA06 Cinchocaine
      D00733  Dibucaine (USP)
  S02 OTOLOGICALS
   S02D OTHER OTOLOGICALS
    S02DA Analgesics and anesthetics
     S02DA04 Cinchocaine
      D00733  Dibucaine (USP)
Classification of Japanese OTC drugs [BR:br08313]
 Agents for  urogenital organs and anus
  30 Hemorrhoid drugs for external use
   D00733  Dibucaine (USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Dibucaine
    D00733  Dibucaine (USP)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D00733  Dibucaine (USP)
    SCN2A
     D00733  Dibucaine (USP)
    SCN3A
     D00733  Dibucaine (USP)
    SCN4A
     D00733  Dibucaine (USP)
    SCN5A
     D00733  Dibucaine (USP)
    SCN8A
     D00733  Dibucaine (USP)
    SCN9A
     D00733  Dibucaine (USP)
    SCN10A
     D00733  Dibucaine (USP)
    SCN11A
     D00733  Dibucaine (USP)
BRITE hierarchy
Other DBs
CAS: 85-79-0
PubChem: 7847798
ChEBI: 247956
ChEMBL: CHEMBL1086
DrugBank: DB00527
LigandBox: D00733
NIKKAJI: J3.887C
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8x C     5.5300  -17.6400
            2   C8x C     5.5300  -19.0400
            3   C8x C     6.7424  -19.7400
            4   C8y C     7.9549  -19.0400
            5   C8y C     7.9549  -17.6400
            6   C8x C     6.7424  -16.9400
            7   N5x N     9.1673  -19.7400
            8   C8y C    10.3797  -19.0400
            9   C8x C    10.3797  -17.6400
            10  C8y C     9.1673  -16.9400
            11  O2a O    11.5773  -19.7315
            12  C5a C     9.1673  -15.5400
            13  N1b N    10.3818  -14.8388
            14  C1b C    11.5783  -15.5298
            15  C1b C    12.7651  -14.8446
            16  N1c N    13.9566  -15.5328
            17  O5a O     7.9569  -14.8412
            18  C1b C    15.1460  -14.8461
            19  C1b C    13.9566  -16.9397
            20  C1a C    15.1490  -17.6284
            21  C1a C    16.3362  -15.5335
            22  C1b C    12.7656  -19.0455
            23  C1b C    13.9564  -19.7331
            24  C1b C    15.1460  -19.0463
            25  C1a C    16.3361  -19.7335
BOND        26
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    8  11 1
            13   10  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   12  17 2
            19   16  18 1
            20   16  19 1
            21   19  20 1
            22   18  21 1
            23   11  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1

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