About 2-[(9R)-1,1,2,2,3,3,4,4,7,7-decadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4,8,8,10,10-dodecadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,4,4,8,8,10,10-octadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
2-[(9R)-1,1,2,2,3,3,4,4,7,7-decadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4,8,8,10,10-dodecadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,4,4,8,8,10,10-octadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (PubChem CID 159649478) has the molecular formula C115H155N5O10S5
and a molecular weight of 1992.26 g/mol. Its IUPAC name is 2-[(9R)-1,1,2,2,3,3,4,4,7,7-decadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4,8,8,10,10-dodecadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,4,4,8,8,10,10-octadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.
Frequently Asked Questions
What is the IUPAC name of 2-[(9R)-1,1,2,2,3,3,4,4,7,7-decadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4,8,8,10,10-dodecadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,4,4,8,8,10,10-octadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The IUPAC name of 2-[(9R)-1,1,2,2,3,3,4,4,7,7-decadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4,8,8,10,10-dodecadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,4,4,8,8,10,10-octadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (CID 159649478) is 2-[(9R)-1,1,2,2,3,3,4,4,7,7-decadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4,8,8,10,10-dodecadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,4,4,8,8,10,10-octadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.
What is the SMILES notation for 2-[(9R)-1,1,2,2,3,3,4,4,7,7-decadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4,8,8,10,10-dodecadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,4,4,8,8,10,10-octadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The canonical SMILES for 2-[(9R)-1,1,2,2,3,3,4,4,7,7-decadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4,8,8,10,10-dodecadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,4,4,8,8,10,10-octadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is [2H]C([2H])(CC([2H])([2H])c1sccc1OC)C[C@@]1(c2ccccn2)C([2H])([2H])COC2(C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H])C1([2H])[2H].[2H]C([2H])(CC([2H])([2H])c1sccc1OC)C[C@@]1(c2ccccn2)C([2H])([2H])COC2(C([2H])([2H])CCC2([2H])[2H])C1([2H])[2H].[2H]C([2H])(CC([2H])([2H])c1sccc1OC)C[C@@]1(c2ccccn2)CC([2H])([2H])OC2(C1)C([2H])([2H])C([2H])([2H])C([2H])([2H])C2([2H])[2H].[2H]C([2H])(CC([2H])([2H])c1sccc1OC)C[C@@]1(c2ccccn2)CC([2H])([2H])OC2(CC([2H])([2H])C([2H])([2H])C2)C1.[2H]C1([2H])C[C@](c2ccccn2)(C([2H])([2H])C([2H])([2H])CC([2H])([2H])c2sccc2OC)CC2(CC([2H])([2H])C([2H])([2H])C2)O1.
What is the InChIKey of 2-[(9R)-1,1,2,2,3,3,4,4,7,7-decadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4,8,8,10,10-dodecadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,4,4,8,8,10,10-octadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The InChIKey is MRJNRNMADKHYFH-DEUGBFRSSA-N. The full InChI is InChI=1S/5C23H31NO2S/c5*1-25-19-10-17-27-20(19)8-2-4-11-22(21-9-3-7-15-24-21)14-16-26-23(18-22)12-5-6-13-23/h5*3,7,9-10,15,17H,2,4-6,8,11-14,16,18H2,1H3/t5*22-/m11111/s1/i4D2,5D2,6D2,8D2,12D2,13D2,14D2,18D2;4D2,5D2,6D2,8D2,12D2,13D2,16D2;4D2,8D2,12D2,13D2,14D2,18D2;4D2,5D2,6D2,8D2,11D2,16D2;4D2,5D2,6D2,8D2,16D2.
What are the key properties of 2-[(9R)-1,1,2,2,3,3,4,4,7,7-decadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4,8,8,10,10-dodecadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,4,4,8,8,10,10-octadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
2-[(9R)-1,1,2,2,3,3,4,4,7,7-decadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4,8,8,10,10-dodecadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,4,4,8,8,10,10-octadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine has a molecular weight of 1992.26 g/mol, XLogP of 29.63, 35 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9R)-1,1,2,2,3,3,4,4,7,7-decadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,2,2,3,3,4,4,8,8,10,10-dodecadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[1,1,2,2,4,4-hexadeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-2,2,3,3,7,7-hexadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine;2-[(9R)-1,1,4,4,8,8,10,10-octadeuterio-9-[2,2,4,4-tetradeuterio-4-(3-methoxythiophen-2-yl)butyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is sourced from PubChem (CID 159649478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).