
 CHEMBL48558

 49 52  0  0  0  0  0  0  0  0999 V2000
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    1.9085   -3.5895   -3.7137 C   0  0  0  0  0
    3.0086   -3.7059   -2.6514 C   0  0  0  0  0
    3.2398   -2.1185   -5.2260 O   0  0  0  0  0
    2.9694   -1.2032   -6.2072 C   0  0  0  0  0
    3.9064   -0.6422   -7.0734 C   0  0  0  0  0
    3.4161    0.2392   -8.0447 C   0  0  0  0  0
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    4.7690   -4.8525    4.5165 O   0  0  0  0  0
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    0.9668   -4.4779    0.5148 H   0  0  0  0  0
    3.5840   -2.1931   -1.2960 H   0  0  0  0  0
    1.6485   -1.2100   -2.0199 H   0  0  0  0  0
    1.2120   -1.7101   -0.4058 H   0  0  0  0  0
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    4.1069    0.6869   -8.7564 H   0  0  0  0  0
    1.7013    1.2318   -8.8903 H   0  0  0  0  0
    0.0767    0.2056   -7.3152 H   0  0  0  0  0
    4.7217   -4.8206    1.8277 H   0  0  0  0  0
    3.0951   -5.0431    2.5089 H   0  0  0  0  0
    3.5522   -3.2340    4.1904 H   0  0  0  0  0
    5.2073   -3.0875    3.5602 H   0  0  0  0  0
    5.0498   -4.4676    5.3661 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL48558

>  <PubChem CID>
13938356

>  <Formula>
C18H24N2O4S

>  <Molecular Weight>
364.460000

>  <IUPAC Name>
N-(2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizin-2-yl)-2-hydroxy-N-methylethanesulfonamide

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CN(C1CCN2CCC3=C(C2C1)OC4=CC=CC=C34)S(=O)(=O)CCO

>  <Isomeric SMILES>
CN(C1CCN2CCC3=C(C2C1)OC4=CC=CC=C34)S(=O)(=O)CCO

>  <InChI Std. ID>
InChI=1S/C18H24N2O4S/c1-19(25(22,23)11-10-21)13-6-8-20-9-7-15-14-4-2-3-5-17(14)24-18(15)16(20)12-13/h2-5,13,16,21H,6-12H2,1H3

>  <InChI Key>
KPPZSBMFUSDGBU-UHFFFAOYSA-N

