
 Alfentanil hydrochloride

 64 65  0  0  0  0  0  0  0  0999 V2000
    2.6610    1.2701    2.5394 C   0  0  0  0  0
    4.0819    1.6204    2.0954 C   0  0  0  0  0
    4.2895    1.3472    0.6113 C   0  0  0  0  0
    4.2205    0.1673    0.2896 O   0  0  0  0  0
    4.5994    2.2952   -0.3698 N   0  0  0  0  0
    4.9414    1.7626   -1.6717 C   0  0  0  0  0
    6.2389    1.9456   -2.1975 C   0  0  0  0  0
    6.5964    1.3920   -3.4269 C   0  0  0  0  0
    5.6747    0.6315   -4.1464 C   0  0  0  0  0
    4.3930    0.4207   -3.6314 C   0  0  0  0  0
    4.0249    0.9762   -2.3990 C   0  0  0  0  0
    4.6547    3.7838   -0.1347 C   0  0  0  0  0
    4.8008    4.5973   -1.4862 C   0  0  0  0  0
    5.0371    6.1047   -1.2602 C   0  0  0  0  0
    6.2618    6.3446   -0.4643 N   0  0  0  0  0
    6.1550    5.6684    0.8496 C   0  0  0  0  0
    5.9114    4.1445    0.7252 C   0  0  0  0  0
    7.5403    6.0280   -1.1568 C   0  0  0  0  0
    7.7229    6.8206   -2.4621 C   0  0  0  0  0
    8.9987    6.4959   -3.0896 N   0  0  0  0  0
   10.0141    7.3253   -3.4105 C   0  0  0  0  0
   10.0309    8.5227   -3.1936 O   0  0  0  0  0
   10.9952    6.6117   -4.0238 N   0  0  0  0  0
   10.5616    5.3584   -4.0632 N   0  0  0  0  0
    9.3569    5.2899   -3.5023 N   0  0  0  0  0
   12.2897    7.0247   -4.5854 C   0  0  0  0  0
   12.5744    8.5182   -4.4439 C   0  0  0  0  0
    3.2927    4.2808    0.4859 C   0  0  0  0  0
    2.2289    3.9799   -0.3984 O   0  0  0  0  0
    0.9920    4.3566    0.1688 C   0  0  0  0  0
    1.5515   -2.8226    3.7150 Cl  0  0  0  0  0
    2.5693    1.4219    3.6361 H   0  0  0  0  0
    2.4193    0.2120    2.3075 H   0  0  0  0  0
    1.9208    1.9232    2.0351 H   0  0  0  0  0
    4.7941    0.9727    2.6508 H   0  0  0  0  0
    4.3079    2.6259    2.4504 H   0  0  0  0  0
    6.9801    2.5068   -1.6487 H   0  0  0  0  0
    7.5951    1.5451   -3.8179 H   0  0  0  0  0
    5.9584    0.1988   -5.0962 H   0  0  0  0  0
    3.6842   -0.1801   -4.1882 H   0  0  0  0  0
    3.0310    0.7980   -2.0111 H   0  0  0  0  0
    3.9081    4.4528   -2.1315 H   0  0  0  0  0
    5.6571    4.2850   -2.0930 H   0  0  0  0  0
    5.0733    6.6307   -2.2308 H   0  0  0  0  0
    4.1791    6.5926   -0.7625 H   0  0  0  0  0
    7.0786    5.8437    1.4447 H   0  0  0  0  0
    5.3280    6.1284    1.4305 H   0  0  0  0  0
    6.8050    3.6955    0.2531 H   0  0  0  0  0
    5.8881    3.7241    1.7401 H   0  0  0  0  0
    7.6302    4.9477   -1.3812 H   0  0  0  0  0
    8.3865    6.2974   -0.4869 H   0  0  0  0  0
    7.6633    7.9081   -2.2416 H   0  0  0  0  0
    6.9383    6.5612   -3.1980 H   0  0  0  0  0
   12.3069    6.7634   -5.6628 H   0  0  0  0  0
   13.0959    6.4590   -4.0710 H   0  0  0  0  0
   11.8023    9.1110   -4.9804 H   0  0  0  0  0
   13.5632    8.7483   -4.8941 H   0  0  0  0  0
   12.6006    8.8085   -3.3735 H   0  0  0  0  0
    3.3192    5.3668    0.6827 H   0  0  0  0  0
    3.0700    3.8676    1.4717 H   0  0  0  0  0
    0.2591    4.4929   -0.6524 H   0  0  0  0  0
    1.0351    5.3312    0.7069 H   0  0  0  0  0
    0.6161    3.5551    0.8381 H   0  0  0  0  0
    1.4536   -3.4286    2.4839 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  2 36  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5 12  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  2  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
 10 11  2  0  0  0
 10 40  1  0  0  0
 11 41  1  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 42  1  0  0  0
 13 43  1  0  0  0
 14 15  1  0  0  0
 14 44  1  0  0  0
 14 45  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  1  0  0  0
 16 46  1  0  0  0
 16 47  1  0  0  0
 17 48  1  0  0  0
 17 49  1  0  0  0
 18 19  1  0  0  0
 18 50  1  0  0  0
 18 51  1  0  0  0
 19 20  1  0  0  0
 19 52  1  0  0  0
 19 53  1  0  0  0
 20 25  1  0  0  0
 20 21  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 26 54  1  0  0  0
 26 55  1  0  0  0
 27 56  1  0  0  0
 27 57  1  0  0  0
 27 58  1  0  0  0
 28 29  1  0  0  0
 28 59  1  0  0  0
 28 60  1  0  0  0
 29 30  1  0  0  0
 30 61  1  0  0  0
 30 62  1  0  0  0
 30 63  1  0  0  0
 31 64  1  0  0  0
M  END

>  <Chemical Name>
Alfentanil hydrochloride

>  <PubChem CID>
64761

>  <Formula>
C21H33ClN6O3

>  <Molecular Weight>
452.984000

>  <IUPAC Name>
N-[1-[2-(4-ethyl-5-oxotetrazol-1-yl)ethyl]-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC.Cl

>  <Isomeric SMILES>
CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCN3C(=O)N(N=N3)CC)COC.Cl

>  <InChI Std. ID>
InChI=1S/C21H32N6O3.ClH/c1-4-19(28)27(18-9-7-6-8-10-18)21(17-30-3)11-13-24(14-12-21)15-16-26-20(29)25(5-2)22-23-26;/h6-10H,4-5,11-17H2,1-3H3;1H

>  <InChI Key>
AQORHZJDCHLLJN-UHFFFAOYSA-N

