KEGG   DRUG: Oxitriptan
Entry
D07339                      Drug                                   
Name
Oxitriptan (INN);
Levothym (TN)
Formula
C11H12N2O3
Exact mass
220.0848
Mol weight
220.2246
Structure
Simcomp
Remark
Same as: C00643
ATC code: N06AX01
Efficacy
Antidepressant
Comment
Sumatriptan derivative
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 N NERVOUS SYSTEM
  N06 PSYCHOANALEPTICS
   N06A ANTIDEPRESSANTS
    N06AX Other antidepressants
     N06AX01 Oxitriptan
      D07339  Oxitriptan (INN)
Other DBs
CAS: 4350-09-8
PubChem: 51091676
ChEBI: 17780
PDB-CCD: 4PQ[PDBj]
LigandBox: D07339
NIKKAJI: J4.572A
KCF data

ATOM        16
            1   C8y C     9.2400  -18.6900
            2   C8x C     9.2400  -20.0900
            3   C8x C    10.4524  -20.7900
            4   C8y C    11.6649  -20.0900
            5   C8y C    11.6649  -18.6900
            6   C8x C    10.4524  -17.9900
            7   N4x N    12.9964  -20.5226
            8   C8x C    13.8193  -19.3900
            9   C8y C    12.9964  -18.2574
            10  O1a O     8.0276  -17.9900
            11  C1b C    12.9964  -16.8574
            12  C1c C    14.2208  -16.1502
            13  N1a N    15.4337  -16.8502
            14  C6a C    14.2204  -14.7700
            15  O6a O    13.0000  -14.0658
            16  O6a O    15.4248  -14.0742
BOND        17
            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     8   9 2
            10    5   9 1
            11    1  10 1
            12    9  11 1
            13   11  12 1
            14   12  13 1 #Up
            15   12  14 1
            16   14  15 1
            17   14  16 2

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