KEGG   COMPOUND: C07174
Entry
C07174                      Compound                               
Name
Trimethaphan
Formula
C22H25N2OS
Exact mass
365.1688
Mol weight
365.51
Structure
Remark
ATC code: C02BA01
Drug group: DG00251
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02B ANTIADRENERGIC AGENTS, GANGLION-BLOCKING
    C02BA Sulfonium derivatives
     C02BA01 Trimetaphan
      C07174  Trimethaphan
Drug groups [BR:br08330]
 Cardiovascular agent
  DG01695  Ganglion-blocking antiadrenergic
   DG00251  Trimetaphan
    C07174  Trimethaphan
Other DBs
CAS: 7187-66-8
PubChem: 9383
ChEBI: 9728
NIKKAJI: J209.355C
LinkDB
KCF data

ATOM        26
            1   C1y C    23.2002  -16.4076
            2   C1y C    23.9602  -15.2325
            3   C1y C    21.8438  -16.0453
            4   N1y N    24.0772  -17.4950
            5   N1y N    25.3808  -15.6009
            6   C1x C    23.0774  -14.1452
            7   S2x S    21.8438  -14.6362 #+
            8   C1x C    20.5285  -16.5422
            9   C5x C    25.3809  -16.9981
            10  C1b C    24.0596  -18.8924
            11  C1b C    26.5268  -14.9051
            12  C1x C    20.4173  -14.2679
            13  C1x C    19.6457  -15.4488
            14  O5x O    26.5560  -17.7582
            15  C8y C    25.2640  -19.6057
            16  C8y C    27.7370  -15.6067
            17  C8x C    25.2464  -20.9970
            18  C8x C    26.4800  -18.9099
            19  C8x C    27.7370  -17.0040
            20  C8x C    28.9472  -14.9110
            21  C8x C    26.4509  -21.7103
            22  C8x C    27.6845  -19.6232
            23  C8x C    28.9472  -17.7056
            24  C8x C    30.1574  -15.6067
            25  C8x C    27.6728  -21.0204
            26  C8x C    30.1574  -17.0040
BOND        30
            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 1
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    7  12 1
            12    8  13 1
            13    9  14 2
            14   10  15 1
            15   11  16 1
            16   15  17 2
            17   15  18 1
            18   16  19 2
            19   16  20 1
            20   17  21 1
            21   18  22 2
            22   19  23 1
            23   20  24 2
            24   21  25 2
            25   23  26 2
            26    5   9 1
            27    6   7 1
            28   12  13 1
            29   22  25 1
            30   24  26 1

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