KEGG   COMPOUND: C12677Help
Entry
C12677                      Compound                               

Name
Acrinol;
Ethacridine lactate
Formula
C15H15N3O. C3H6O3
Exact mass
343.1532
Mol weight
343.377
Structure
Mol fileKCF fileDB search
Brite
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Acrinol hydrate
    C12677  Acrinol
Animal drugs in Japan [BR:br08331]
 95  Agents for external use
  951  Antimicrobials for dermatologic use
   9519  Other antimicrobials for dermatologic use
    C12677  Acrinol
  954  Anti-dermoinfectives
   9549  Other anti-dermoinfectives
    C12677  Acrinol
BRITE hierarchy
Other DBs
CAS: 1837-57-6
PubChem: 583067
ChEBI: 31172
ChEMBL: CHEMBL582355
NIKKAJI: J237.300I
LinkDB All DBs
KCF data Show

ATOM        25
            1   C8x C    20.9721  -18.4380
            2   C1b C    23.3976  -17.0415
            3   O2a O    22.1866  -16.3403
            4   C8y C    20.9738  -17.0386
            5   C8y C    18.5500  -18.4380
            6   C8x C    19.7611  -19.1391
            7   C8x C    19.7645  -16.3403
            8   C8y C    18.5517  -17.0386
            9   C8y C    16.1280  -18.4380
            10  N5x N    17.3390  -19.1391
            11  C8y C    17.3424  -16.3403
            12  C8y C    16.1296  -17.0386
            13  C8x C    13.7059  -17.0357
            14  C8y C    13.7059  -18.4380
            15  C8x C    14.9232  -19.1391
            16  C8x C    14.9232  -16.3346
            17  C1a C    24.6127  -16.3419
            18  N1a N    17.3319  -14.9323
            19  N1a N    12.4877  -19.1319
            20  C1a C    27.7332  -17.8073
            21  C1c C    28.9442  -17.1061
            22  C6a C    30.1552  -17.8003
            23  O6a O    31.3663  -17.0992
            24  O1a O    28.9371  -15.7039
            25  O6a O    30.1481  -19.2026
BOND        26
            1    11  12 2
            2    12   9 1
            3     3   4 1
            4     5   6 1
            5     6   1 2
            6     4   7 2
            7    13  14 1
            8    14  15 2
            9    15   9 1
            10   12  16 1
            11   16  13 2
            12    7   8 1
            13    2  17 1
            14    8   5 2
            15   11  18 1
            16    4   1 1
            17   14  19 1
            18    2   3 1
            19    9  10 2
            20   10   5 1
            21    8  11 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   21  24 1
            26   22  25 2

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