KEGG   COMPOUND: C07529Help
Entry
C07529                      Compound                               

Name
Bupivacaine;
Marcaine
Formula
C18H28N2O
Exact mass
288.2202
Mol weight
288.4277
Structure
Mol fileKCF fileDB searchJmolKegDraw
Remark
Same as: 
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N01 ANESTHETICS
   N01B ANESTHETICS, LOCAL
    N01BB Amides
     N01BB01 Bupivacaine
      D07552  Bupivacaine (USAN/INN)
Target-based classification of drugs [BR:br08310]
 Ion channels
  Voltage-gated cation channels
   Na+ channel, SCN alpha, NaV1.x
    voltage-gated sodium channel (SCN1A)
     Bupivacaine
      D07552  Bupivacaine (USAN/INN)
    voltage-gated sodium channel (SCN2A)
     Bupivacaine
      D07552  Bupivacaine (USAN/INN)
    voltage-gated sodium channel (SCN3A)
     Bupivacaine
      D07552  Bupivacaine (USAN/INN)
    voltage-gated sodium channel (SCN4A)
     Bupivacaine
      D07552  Bupivacaine (USAN/INN)
    voltage-gated sodium channel (SCN5A)
     Bupivacaine
      D07552  Bupivacaine (USAN/INN)
    voltage-gated sodium channel (SCN8A)
     Bupivacaine
      D07552  Bupivacaine (USAN/INN)
    voltage-gated sodium channel (SCN9A)
     Bupivacaine
      D07552  Bupivacaine (USAN/INN)
    voltage-gated sodium channel (SCN10A)
     Bupivacaine
      D07552  Bupivacaine (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
2180-92-9 38396-39-3
PubChem: 
ChEBI: 
NIKKAJI: 
KCF data Show

ATOM        21
            1   C1y C    27.5705  -18.7193
            2   N1y N    27.5588  -20.1460
            3   C5a C    26.3417  -17.9972
            4   C1x C    28.8050  -18.0088
            5   C1x C    28.7876  -20.8622
            6   C1b C    26.3360  -20.8215
            7   N1b N    25.1188  -18.7193
            8   O5a O    26.3301  -16.9197
            9   C1x C    30.0338  -18.7367
            10  C1x C    30.0280  -20.1577
            11  C1b C    25.1362  -20.1168
            12  C8y C    23.8843  -18.0029
            13  C1b C    23.9191  -20.8040
            14  C8y C    22.6556  -18.7250
            15  C8y C    23.8843  -16.5819
            16  C1a C    23.9075  -22.2016
            17  C8x C    21.4209  -18.0029
            18  C1a C    22.7136  -20.0937
            19  C8x C    22.6556  -15.8774
            20  C1a C    25.1072  -15.8774
            21  C8x C    21.4209  -16.5819
BOND        22
            1     1   2 1
            2     1   3 1
            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    6  11 1
            11    7  12 1
            12   11  13 1
            13   12  14 2
            14   12  15 1
            15   13  16 1
            16   14  17 1
            17   14  18 1
            18   15  19 2
            19   15  20 1
            20   17  21 2
            21    9  10 1
            22   19  21 1

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