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Amb16200057

Duplicate ID
Molecule Name Venenatine methiodide
Venenatine
SmilesCOC(=O)[C@@H]1[C@H](O)CC[C@H]2[C@@H]1C[C@H]1N(C2)CCc2c1[nH]c1c2c(OC)ccc1
InchiKeyWMMZYEBFJWWUJX-YCSGKXEJSA-N
InChi InChI=1S/C22H28N2O4/c1-27-18-5-3-4-15-19(18)13-8-9-24-11-12-6-7-17(25)20(22(26)28-2)14(12)10-16(24)21(13)23-15/h3-5,12,14,16-17,20,23,25H,6-11H2,1-2H3/t12-,14+,16-,17-,20+/m1/s1
Formula C22H28N2O4
Molecular weight 384.469
Rings 5
logP 2.5936
PSA 74.79
MR 110.515
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