KEGG   COMPOUND: C07532Help
Entry
C07532                      Compound                               

Name
Ropivacaine
Formula
C17H26N2O
Exact mass
274.2045
Mol weight
274.4011
Structure
Mol fileKCF fileDB search
Remark
Same as: D08490
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01B ANESTHETICS, LOCAL
    N01BB Amides
     N01BB09 Ropivacaine
      D08490  Ropivacaine (INN)
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)
BRITE hierarchy
Other DBs
CAS: 84057-95-4
PubChem: 9735
ChEBI: 8890
ChEMBL: CHEMBL1077896
NIKKAJI: J33.095G
LinkDB All DBs
KCF data Show

ATOM        20
            1   C8x C    14.3500  -21.1400
            2   C8x C    14.3500  -22.5400
            3   C8y C    15.5624  -23.2400
            4   C8y C    16.7749  -22.5400
            5   C8y C    16.7749  -21.1400
            6   C8x C    15.5624  -20.4400
            7   N1b N    17.9873  -23.2400
            8   C5a C    19.1997  -22.5400
            9   C1a C    17.9873  -20.4400
            10  C1y C    20.3973  -23.2315
            11  N1y N    20.3973  -24.6397
            12  C1x C    21.6098  -25.3397
            13  C1x C    22.8222  -24.6397
            14  C1x C    22.8222  -23.2315
            15  C1x C    21.6097  -22.5315
            16  C1a C    15.5624  -24.6398
            17  C1b C    19.1645  -25.3518
            18  C1b C    17.9586  -24.6558
            19  C1a C    16.7767  -25.3384
            20  O5a O    19.1998  -21.1401
BOND        21
            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 1
            9     5   9 1
            10   10   8 1 #Down
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   10  15 1
            17    3  16 1
            18   11  17 1
            19   17  18 1
            20   18  19 1
            21    8  20 2

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