
 N-Cyclopropylmethylnorazidomorphine

 50 55  0  0  0  0  0  0  0  0999 V2000
    1.8068   -3.3170   -0.3030 C   0  0  0  0  0
    3.1821   -2.7135   -0.2738 C   0  0  0  0  0
    1.9676   -1.8165   -0.3136 C   0  0  0  0  0
    1.5675   -1.0166    0.8909 C   0  0  0  0  0
    1.9266    0.4026    0.7647 N   0  0  0  0  0
    3.3511    0.6073    0.5005 C   0  0  0  0  0
    3.8351    2.0451    0.6983 C   0  0  0  0  0
    3.3398    2.6868    2.0124 C   0  0  0  0  0
    2.4400    1.7778    2.8534 C   0  0  0  0  0
    1.3754    1.1949    1.8862 C   0  0  0  0  0
    0.4885    2.3631    1.2764 C   0  0  0  0  0
    1.1300    3.7343    1.3003 C   0  0  0  0  0
    2.4554    3.8369    1.6957 C   0  0  0  0  0
    3.0657    5.0297    1.9895 C   0  0  0  0  0
    2.3981    6.2124    1.7699 C   0  0  0  0  0
    1.0891    6.1678    1.2851 C   0  0  0  0  0
    0.4471    4.9296    1.0658 C   0  0  0  0  0
    2.9742    7.4136    2.0453 O   0  0  0  0  0
    4.2964    4.8823    2.5689 O   0  0  0  0  0
    4.4491    3.4362    2.7805 C   0  0  0  0  0
    4.4106    3.0951    4.2870 C   0  0  0  0  0
    4.3650    1.5662    4.4984 C   0  0  0  0  0
    3.2513    0.8284    3.7297 C   0  0  0  0  0
    5.6372    3.5906    4.9453 N   0  0  0  0  0
    5.6156    4.7825    5.3089 N   0  0  0  0  0
    5.5973    5.8694    5.6466 N   0  0  0  0  0
    1.4399   -3.7943    0.5985 H   0  0  0  0  0
    1.4843   -3.7975   -1.2201 H   0  0  0  0  0
    3.7890   -2.7835   -1.1692 H   0  0  0  0  0
    3.7462   -2.7893    0.6491 H   0  0  0  0  0
    1.7211   -1.3137   -1.2429 H   0  0  0  0  0
    1.9982   -1.4453    1.8047 H   0  0  0  0  0
    0.4768   -1.1012    0.9766 H   0  0  0  0  0
    3.5677    0.3326   -0.5395 H   0  0  0  0  0
    3.9691   -0.0562    1.1150 H   0  0  0  0  0
    4.9314    2.0238    0.6639 H   0  0  0  0  0
    3.5284    2.6383   -0.1747 H   0  0  0  0  0
    1.8706    2.3808    3.5822 H   0  0  0  0  0
    0.6890    0.5724    2.4767 H   0  0  0  0  0
    0.1719    2.1241    0.2537 H   0  0  0  0  0
   -0.4254    2.4213    1.8832 H   0  0  0  0  0
    0.5485    7.0952    1.1150 H   0  0  0  0  0
   -0.5926    4.9175    0.7476 H   0  0  0  0  0
    3.8688    7.2119    2.3790 H   0  0  0  0  0
    5.4439    3.1808    2.3939 H   0  0  0  0  0
    3.5343    3.5567    4.7623 H   0  0  0  0  0
    5.3307    1.1321    4.2050 H   0  0  0  0  0
    4.2651    1.3526    5.5703 H   0  0  0  0  0
    3.6991    0.0084    3.1643 H   0  0  0  0  0
    2.5781    0.3454    4.4491 H   0  0  0  0  0
  1  3  1  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  4 33  1  0  0  0
  5 10  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 20  1  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 23  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 11 41  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 14 19  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 42  1  0  0  0
 17 43  1  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
 24 25  2  0  0  0
 25 26  2  0  0  0
M  RAD  1  26   2
M  CHG  2  25   1  26  -1
M  END

>  <Chemical Name>
N-Cyclopropylmethylnorazidomorphine

>  <PubChem CID>
5489191

>  <Formula>
C20H24N4O2

>  <Molecular Weight>
352.438000

>  <IUPAC Name>
(4R,4aR,7R,7aS,12bS)-7-azido-3-(cyclopropylmethyl)-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-ol

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC1CN2CCC34C5C2CC6=C3C(=C(C=C6)O)OC4C(CC5)N=[N+]=[N-]

>  <Isomeric SMILES>
C1C[C@H]([C@@H]2[C@@]34[C@@H]1[C@@H](CC5=C3C(=C(C=C5)O)O2)N(CC4)CC6CC6)N=[N+]=[N-]

>  <InChI Std. ID>
InChI=1S/C20H24N4O2/c21-23-22-14-5-4-13-15-9-12-3-6-16(25)18-17(12)20(13,19(14)26-18)7-8-24(15)10-11-1-2-11/h3,6,11,13-15,19,25H,1-2,4-5,7-10H2/t13-,14+,15+,19+,20-/m0/s1

>  <InChI Key>
ACIDOKFIOLLVDB-MBNVHVTPSA-N

