KEGG   DRUG: Ropivacaine
Entry
D08490                      Drug                                   
Name
Ropivacaine (INN);
Naropin (TN)
Formula
C17H26N2O
Exact mass
274.2045
Mol weight
274.4011
Structure
Simcomp
Class
Neuropsychiatric agent
 DG02030  Anesthetics
  DG01675  Local anesthetic
   DG01673  Amide type local anesthetic
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Same as: C07532
ATC code: N01BB09
Chemical structure group: DG00806
Product (DG00806): D04048<JP/US>
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
Metabolism
Enzyme: CYP1A2 [HSA:1544], CYP3A4 [HSA:1576]
Interaction
Structure map
map07231  Sodium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01B ANESTHETICS, LOCAL
    N01BB Amides
     N01BB09 Ropivacaine
      D08490  Ropivacaine (INN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG02030  Anesthetics
   DG01675  Local anesthetic
    DG01673  Amide type local anesthetic
     DG00806  Ropivacaine
      D08490  Ropivacaine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00806  Ropivacaine
    D08490  Ropivacaine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00806  Ropivacaine
     D08490  Ropivacaine
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D08490  Ropivacaine (INN)
    SCN2A
     D08490  Ropivacaine (INN)
    SCN3A
     D08490  Ropivacaine (INN)
    SCN4A
     D08490  Ropivacaine (INN)
    SCN5A
     D08490  Ropivacaine (INN)
    SCN8A
     D08490  Ropivacaine (INN)
    SCN9A
     D08490  Ropivacaine (INN)
    SCN10A
     D08490  Ropivacaine (INN)
    SCN11A
     D08490  Ropivacaine (INN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D08490
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG02030  Anesthetics
   DG01675  Local anesthetic
    DG01673  Amide type local anesthetic
     DG00806  Ropivacaine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00806  Ropivacaine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00806  Ropivacaine
Other DBs
CAS: 84057-95-4
PubChem: 96025176
ChEBI: 8890
LigandBox: D08490
NIKKAJI: J33.095G
LinkDB
KCF data

ATOM        20
            1   C1y C    26.9298  -19.4988
            2   N1y N    26.9298  -20.8966
            3   C5a C    25.7416  -18.7999
            4   C1x C    28.1878  -18.7999
            5   C1x C    28.1178  -21.6653
            6   C1b C    25.6718  -21.5954
            7   N1b N    24.4836  -19.4988
            8   O5a O    25.7421  -17.6817
            9   C1x C    29.3758  -19.4988
            10  C1x C    29.3754  -20.9665
            11  C8y C    23.2956  -18.6602
            12  C8y C    22.0376  -19.3590
            13  C8y C    23.2956  -17.2624
            14  C8x C    20.7795  -18.6602
            15  C1a C    22.0376  -20.6869
            16  C8x C    22.0376  -16.5634
            17  C1a C    24.4836  -16.5634
            18  C8x C    20.7795  -17.2624
            19  C1b C    24.4938  -20.9026
            20  C1a C    23.2688  -21.5965
BOND        21
            1     1   2 1
            2     1   3 1 #Down
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     5  10 1
            10    7  11 1
            11   11  12 2
            12   11  13 1
            13   12  14 1
            14   12  15 1
            15   13  16 2
            16   13  17 1
            17   14  18 2
            18    9  10 1
            19   16  18 1
            20    6  19 1
            21   19  20 1

» Japanese version   » Back

KEGG   DRUG: Ropivacaine hydrochloride
Entry
D04048                      Drug                                   
Name
Ropivacaine hydrochloride (USP);
Ropivacaine hydrochloride hydrate (JAN);
Anapeine (TN)
Product
  Generic
Formula
C17H26N2O. HCl. H2O
Exact mass
328.1918
Mol weight
328.8774
Structure
Simcomp
Class
Neuropsychiatric agent
 DG02030  Anesthetics
  DG01675  Local anesthetic
   DG01673  Amide type local anesthetic
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 1214
ATC code: N01BB09
Chemical structure group: DG00806
Product (DG00806): D04048<JP/US>
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
Metabolism
Enzyme: CYP1A2 [HSA:1544], CYP3A4 [HSA:1576]
Interaction
Structure map
map07231  Sodium channel blocking drugs
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01B ANESTHETICS, LOCAL
    N01BB Amides
     N01BB09 Ropivacaine
      D04048  Ropivacaine hydrochloride (USP) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 1  Agents affecting nervous system and sensory organs
  12  Agents affecting peripheral nervous system
   121  Local anesthetics
    1214  Xylidines
     D04048  Ropivacaine hydrochloride (USP); Ropivacaine hydrochloride hydrate (JAN)
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG02030  Anesthetics
   DG01675  Local anesthetic
    DG01673  Amide type local anesthetic
     DG00806  Ropivacaine
      D04048  Ropivacaine hydrochloride
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00806  Ropivacaine
    D04048  Ropivacaine hydrochloride
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00806  Ropivacaine
     D04048  Ropivacaine hydrochloride
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated ion channels
   Sodium channels
    SCN1A
     D04048  Ropivacaine hydrochloride (USP) <JP/US>
    SCN2A
     D04048  Ropivacaine hydrochloride (USP) <JP/US>
    SCN3A
     D04048  Ropivacaine hydrochloride (USP) <JP/US>
    SCN4A
     D04048  Ropivacaine hydrochloride (USP) <JP/US>
    SCN5A
     D04048  Ropivacaine hydrochloride (USP) <JP/US>
    SCN8A
     D04048  Ropivacaine hydrochloride (USP) <JP/US>
    SCN9A
     D04048  Ropivacaine hydrochloride (USP) <JP/US>
    SCN10A
     D04048  Ropivacaine hydrochloride (USP) <JP/US>
    SCN11A
     D04048  Ropivacaine hydrochloride (USP) <JP/US>
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04048
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D04048
Drug groups [BR:br08330]
 Neuropsychiatric agent
  DG02030  Anesthetics
   DG01675  Local anesthetic
    DG01673  Amide type local anesthetic
     DG00806  Ropivacaine
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00806  Ropivacaine
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00806  Ropivacaine
Other DBs
CAS: 132112-35-7
PubChem: 47206010
ChEBI: 34954
LigandBox: D04048
NIKKAJI: J2.220.367C
LinkDB
KCF data

ATOM        22
            1   X   Cl   31.2200  -18.2001
            2   O0  O    31.7800  -21.0001
            3   C8x C    20.8600  -18.3400
            4   C8x C    20.8600  -19.7400
            5   C8y C    22.0500  -20.4400
            6   C8y C    23.3100  -19.7400
            7   C8y C    23.3100  -18.3400
            8   C8x C    22.0500  -17.6400
            9   N1b N    24.5000  -20.4400
            10  C5a C    25.6900  -19.7400
            11  C1a C    24.5000  -17.6400
            12  C1y C    26.9500  -20.4400
            13  N1y N    26.9500  -21.8400
            14  C1x C    28.1400  -22.5400
            15  C1x C    29.3300  -21.8400
            16  C1x C    29.3300  -20.4400
            17  C1x C    28.1400  -19.7400
            18  C1a C    22.0500  -21.8400
            19  C1b C    25.6900  -22.5400
            20  C1b C    24.5000  -21.8400
            21  C1a C    23.3100  -22.5400
            22  O5a O    25.6900  -18.3400
BOND        21
            1     3   4 2
            2     4   5 1
            3     5   6 2
            4     6   7 1
            5     7   8 2
            6     3   8 1
            7     6   9 1
            8     9  10 1
            9     7  11 1
            10   12  10 1 #Down
            11   12  13 1
            12   13  14 1
            13   14  15 1
            14   15  16 1
            15   16  17 1
            16   12  17 1
            17    5  18 1
            18   13  19 1
            19   19  20 1
            20   20  21 1
            21   10  22 2

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