KEGG   DRUG: Debrisoquin sulfate
Entry
D03664                      Drug                                   

Name
Debrisoquin sulfate (USAN);
Declinax (TN)
Formula
(C10H13N3)2. H2SO4
Exact mass
448.1893
Mol weight
448.5391
Structure
Simcomp
Class
Cardiovascular agent
 DG01739  Peripherally-acting antiadrenergic
Metabolizing enzyme substrate
 DG01644  CYP2D6 substrate
Remark
ATC code: C02CC04
Chemical structure group: DG00259
Efficacy
Antihypertensive
Comment
Guanidine derivative
Metabolism
Enzyme: CYP2D6 [HSA:1565]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 C CARDIOVASCULAR SYSTEM
  C02 ANTIHYPERTENSIVES
   C02C ANTIADRENERGIC AGENTS, PERIPHERALLY ACTING
    C02CC Guanidine derivatives
     C02CC04 Debrisoquine
      D03664  Debrisoquin sulfate (USAN)
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D03664
Other DBs
CAS: 581-88-4
PubChem: 17397760
ChEBI: 50973
ChEMBL: CHEMBL1593558
LigandBox: D03664
NIKKAJI: J398.429J
LinkDB
KCF data

ATOM        31
            1   C8x C     5.5051   -9.1214
            2   C8x C     5.5051  -10.5211
            3   C8x C     6.7173  -11.2210
            4   C8y C     7.9295  -10.5211
            5   C8y C     7.9295   -9.1214
            6   C8x C     6.7173   -8.4216
            7   C1x C     9.1417  -11.2210
            8   C1x C    10.3539  -10.5211
            9   N1y N    10.3539   -9.1214
            10  C1x C     9.1417   -8.4216
            11  C2c C    11.5687   -8.4201
            12  N1a N    12.7830   -9.1210
            13  N2a N    11.5687   -7.0218
            14  S4a S    19.5002   -8.9369
            15  O1d O    20.9001   -8.9369
            16  O1d O    18.1003   -8.9767
            17  O1d O    19.5631  -10.3368
            18  O1d O    19.5037   -7.5369
            19  C8x C     5.5051   -9.1214
            20  C8x C     5.5051  -10.5211
            21  C8x C     6.7173  -11.2210
            22  C8y C     7.9295  -10.5211
            23  C8y C     7.9295   -9.1214
            24  C8x C     6.7173   -8.4216
            25  C1x C     9.1417   -8.4216
            26  N1y N    10.3539   -9.1214
            27  C1x C    10.3539  -10.5211
            28  C1x C     9.1417  -11.2210
            29  C2c C    11.5687   -8.4201
            30  N1a N    12.7830   -9.1210
            31  N2a N    11.5687   -7.0218
BOND        32
            1    14  15 1
            2    14  16 1
            3    14  17 2
            4    14  18 2
            5     1   2 1
            6     2   3 2
            7     3   4 1
            8     4   5 2
            9     5   6 1
            10    1   6 2
            11    4   7 1
            12    7   8 1
            13    8   9 1
            14    9  10 1
            15    5  10 1
            16    9  11 1
            17   11  12 1
            18   11  13 2
            19   19  20 1
            20   20  21 2
            21   21  22 1
            22   22  23 2
            23   23  24 1
            24   19  24 2
            25   22  28 1
            26   28  27 1
            27   27  26 1
            28   26  25 1
            29   23  25 1
            30   26  29 1
            31   29  30 1
            32   29  31 2
BRACKET     1     4.5500  -11.9700    4.5500   -5.6700
            1    14.9100   -5.6700   14.9100  -11.9700
            1  2
 ORIGINAL  1    1   2   3   4   5   6  10   9   8   7  11  12  13
 REPEAT    1   19  20  21  22  23  24  25  26  27  28  29  30  31

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