Mrv1652306031607122D          

 26 29  0  0  1  0            999 V2000
   -0.6300   -0.7053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2175    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7140    0.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0015    2.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3015    1.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3015    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5890    2.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8265    2.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4765    1.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4765    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0015    1.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2390    2.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1942   -0.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1942    0.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436   -0.7341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436    0.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0640    0.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8265    1.4381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8393   -0.9177    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8393    0.9360    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0015    0.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2390    0.7236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6075    0.0092    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8265    0.0092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6557   -1.7220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6557    1.7403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  5  3  2  0  0  0  0
  6  3  1  0  0  0  0
  7  4  2  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  2  0  0  0  0
 11  7  1  0  0  0  0
 12  8  2  0  0  0  0
 14 13  1  0  0  0  0
 17  9  2  0  0  0  0
 17 10  1  0  0  0  0
 18 11  2  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 19 15  1  0  0  0  0
 20 14  1  0  0  0  0
 20 16  1  0  0  0  0
 21 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 17  1  0  0  0  0
 22 18  1  0  0  0  0
 23  2  1  0  0  0  0
 23 19  1  0  0  0  0
 23 20  1  0  0  0  0
 24 21  1  0  0  0  0
 24 22  1  0  0  0  0
 19 25  1  6  0  0  0
 20 26  1  1  0  0  0
M  END
> <DATABASE_ID>
CHEM043731

> <DATABASE_NAME>
chemdb

> <SMILES>
[H][C@@]12CC[C@]([H])(CC(C1)OC(C1=CC=CC=C1)C1=CC=CC=C1)N2CC

> <INCHI_IDENTIFIER>
InChI=1S/C22H27NO/c1-2-23-19-13-14-20(23)16-21(15-19)24-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-22H,2,13-16H2,1H3/t19-,20-/m1/s1

> <INCHI_KEY>
PHTMLLGDZBZXMW-WOJBJXKFSA-N

> <FORMULA>
C22H27NO

> <MOLECULAR_WEIGHT>
321.464

> <EXACT_MASS>
321.209264493

> <ALOGPS_LOGP>
5.09

> <ALOGPS_LOGS>
-5.45

> <ALOGPS_SOLUBILITY>
1.15e-03 g/l

> <NAME>
ethybenztropine

> <CAS>
524-83-4

$$$$