9-Methyl-12-trimethylsilanylmethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-ylidene-cyanamide

ID: ALA2252024

PubChem CID: 76311916

Max Phase: Preclinical

Molecular Formula: C16H22N4OSi

Molecular Weight: 314.47

Molecule Type: Unknown

Names and Identifiers

Canonical SMILES:  CC12CC(c3ccccc3O1)N(C[Si](C)(C)C)/C(=N/C#N)N2

Standard InChI:  InChI=1S/C16H22N4OSi/c1-16-9-13(12-7-5-6-8-14(12)21-16)20(11-22(2,3)4)15(19-16)18-10-17/h5-8,13H,9,11H2,1-4H3,(H,18,19)

Standard InChI Key:  RYCGCFFWJKJRBR-UHFFFAOYSA-N

Molfile:  

     RDKit          2D

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.4247  -18.5230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4235  -19.3425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1316  -19.7515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1298  -18.1141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8384  -18.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8418  -19.3446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5542  -19.7520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2677  -19.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2643  -18.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5474  -18.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2491  -17.6852    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9714  -18.9233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9635  -18.1062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6711  -17.6973    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3789  -18.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0864  -18.5144    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6701  -20.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2479  -16.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9550  -16.4583    0.0000 Si  0  0  0  0  0  4  0  0  0  0  0  0
   10.6633  -16.8659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9538  -15.6411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7432  -16.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  6  2  0
  5  4  2  0
  4  1  1  0
  5  6  1  0
  5 10  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  8 12  1  0
 11 13  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  3  0
  8 17  1  0
 11 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
M  END

Alternative Forms

1. Parent:

   

   ALA2252024

   [9-Methyl-12-(trimethylsilylmethyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6,10-tetraen-11-yl]cyanamide

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Unknown

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 314.47

Molecular Weight (Monoisotopic): 314.1563

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References

1. Finkelstein BL, Benner EA, Hendrixson MC, Kranis KT, Rauh JJ, Sethuraman MR, McCann SF..  (2002)  Tricyclic cyanoguanidines: synthesis, site of action and insecticidal activity of a novel class of reversible acetylcholinesterase inhibitors.,  10  (3): [PMID:11814848] [10.1016/s0968-0896(01)00326-1]

Source

Source(1):

• Scientific Literature