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Chemical Structure Search

Structure Search Molecular Weight

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Mrv0541 04191212132D

21 23  0  0  1  0            999 V2000
   -0.7145    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4290   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0738   -1.3395    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8782   -1.1559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2362   -0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8783    0.3307    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0740    0.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7353   -0.6293    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0208   -0.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19  1  1  6  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  7  1  0  0  0  0
  3  5  1  0  0  0  0
  2  4  2  0  0  0  0
  6  5  1  0  0  0  0
  8  7  2  0  0  0  0
  7  9  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 13 20  1  1  0  0  0
 19 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 17 20  1  1  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
M  END

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DB00424 Score: 1.0		Hyoscyamine 101-31-5 approved	C₁₇H₂₃NO₃ Mono mass: 289.167793607
DB00572 Score: 1.0		Atropine 51-55-8 approved vet_approved	C₁₇H₂₃NO₃ Mono mass: 289.167793607
DB13833 Score: 1.0		Methylatropine 31610-87-4 experimental	C₁₈H₂₆NO₃ Mono mass: 304.190720121
DB00332 Score: 0.993		Ipratropium 60205-81-4 approved experimental	C₂₀H₃₀NO₃ Mono mass: 332.22202025
DB11785 Score: 0.926		Anisodamine 55869-99-3 investigational	C₁₇H₂₃NO₄ Mono mass: 305.162708225
DB16896 Score: 0.926		Raceanisodamine 85760-60-7 investigational	C₁₇H₂₃NO₄ Mono mass: 305.162708225
DB00209 Score: 0.855		Trospium 47608-32-2 approved	C₂₅H₃₀NO₃ Mono mass: 392.22202025
DB00747 Score: 0.848		Scopolamine 51-34-3 approved investigational	C₁₇H₂₁NO₄ Mono mass: 303.147058165
DB11315 Score: 0.848		Methscopolamine 13265-10-6 approved	C₁₈H₂₄NO₄ Mono mass: 318.169984677
DB02161 Score: 0.845		Hydroxy-Phenyl-Acetic Acid 8-Methyl-8-Aza-Bicyclo[3.2.1]Oct-3-Yl Ester experimental	C₁₆H₂₁NO₃ Mono mass: 275.152143543
DB11181 Score: 0.845		Homatropine 87-00-3 approved	C₁₆H₂₁NO₃ Mono mass: 275.15214354
DB00462 Score: 0.844		Methscopolamine bromide 155-41-9 approved	C₁₈H₂₄BrNO₄ Mono mass: 397.088871
DB09300 Score: 0.844		Butylscopolamine 7182-53-8 approved investigational vet_approved	C₂₁H₃₀NO₄ Mono mass: 360.21693487
DB12086 Score: 0.844		Oxitropium 99571-64-9 investigational	C₁₉H₂₆NO₄ Mono mass: 332.185634741
DB00725 Score: 0.84		Homatropine methylbromide 80-49-9 approved	C₁₇H₂₄BrNO₃ Mono mass: 369.093956286
DB08978 Score: 0.825		Fentonium 34786-74-8 withdrawn	C₃₁H₃₄NO₄ Mono mass: 484.248234999
DB09271 Score: 0.821		Cimetropium 150521-16-7 experimental investigational	C₂₁H₂₈NO₄ Mono mass: 358.201284806
DB15968 Score: 0.795		Butropium 107080-63-7 experimental	C₂₈H₃₈NO₄ Mono mass: 452.279535128

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