Try beta.chemspider
- 2 of 2 defined stereocentres
- Non-standard isotope
(4aR,5S,8aR)-3-Ethyl-2-methyl-6-(~2~H_3_)methyl(5,7-~2~H_2_)-1,4a,5,6,7,8,8a,9-octahydro-4H-pyrrolo[2,3-g]isoquinolin-4-one
CCC1=C(C)NC2=C1C(=O)[C@H]3C([2H])N(C([2H])([2H])[2H])C([2H])C[C@@H]3C2 [2H]C1C[C@@H]2Cc3c(c(c([nH]3)C)CC)C(=O)[C@H]2C(N1C([2H])([2H])[2H])[2H]
InChI=1S/C15H22N2O/c1-4-11-9(2)16-13-7-10-5-6-17(3)8-12(10)15(18)14(11)13/h10,12,16H,4-8H2,1-3H3/t10-,12+/m1/s1/i3D3,6D,8D/t6?,8?,10-,12+
PVZMYDPRVUCJKV-ZEWHDGBHSA-N
CSID:58784328, http://www.chemspider.com/Chemical-Structure.58784328.html (accessed 20:02, Apr 26, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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