sodium;ethyl 9-hydroxy-10-methoxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;ethyl 10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;methane;10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;[3-(methoxymethyl)oxetan-3-yl]methyl methanesulfonate;hydroxide

C84H116N3NaO28S — CID 159455935

About sodium;ethyl 9-hydroxy-10-methoxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;ethyl 10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;methane;10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;[3-(methoxymethyl)oxetan-3-yl]methyl methanesulfonate;hydroxide

sodium;ethyl 9-hydroxy-10-methoxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;ethyl 10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;methane;10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;[3-(methoxymethyl)oxetan-3-yl]methyl methanesulfonate;hydroxide (PubChem CID 159455935) has the molecular formula C84H116N3NaO28S and a molecular weight of 1670.90 g/mol. Its IUPAC name is sodium;ethyl 9-hydroxy-10-methoxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;ethyl 10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;methane;10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;[3-(methoxymethyl)oxetan-3-yl]methyl methanesulfonate;hydroxide.

Molecular Properties

• Compound Name: sodium;ethyl 9-hydroxy-10-methoxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;ethyl 10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;methane;10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;[3-(methoxymethyl)oxetan-3-yl]methyl methanesulfonate;hydroxide
• PubChem CID: 159455935
• Molecular Formula: C84H116N3NaO28S
• Molecular Weight: 1670.90 g/mol
• Exact Mass: 1669.74
• IUPAC Name: sodium;ethyl 9-hydroxy-10-methoxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;ethyl 10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;methane;10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;[3-(methoxymethyl)oxetan-3-yl]methyl methanesulfonate;hydroxide
• SMILES: C.CCOC(=O)c1cn2c(cc1=O)-c1cc(OC)c(O)cc1CC2C(C)(C)COC.CCOC(=O)c1cn2c(cc1=O)-c1cc(OC)c(OCC3(COC)COC3)cc1CC2C(C)(C)COC.COCC1(COS(C)(=O)=O)COC1.COCC1(COc2cc3c(cc2OC)-c2cc(=O)c(C(=O)O)cn2C(C(C)(C)COC)C3)COC1.[Na+].[OH-]
• InChI: InChI=1S/C28H37NO8.C26H33NO8.C22H27NO6.C7H14O5S.CH4.Na.H2O/c1-7-36-26(31)20-12-29-21(11-22(20)30)19-10-23(34-6)24(37-17-28(14-33-5)15-35-16-28)8-18(19)9-25(29)27(2,3)13-32-4;1-25(2,11-31-3)23-7-16-6-22(35-15-26(12-32-4)13-34-14-26)21(33-5)8-17(16)19-9-20(28)18(24(29)30)10-27(19)23;1-6-29-21(26)15-11-23-16(10-17(15)24)14-9-19(28-5)18(25)7-13(14)8-20(23)22(2,3)12-27-4;1-10-3-7(4-11-5-7)6-12-13(2,8)9;;;/h8,10-12,25H,7,9,13-17H2,1-6H3;6,8-10,23H,7,11-15H2,1-5H3,(H,29,30);7,9-11,20,25H,6,8,12H2,1-5H3;3-6H2,1-2H3;1H4;;1H2/q;;;;;+1;/p-1
• InChIKey: LTYWYSZYGRUKMX-UHFFFAOYSA-M
• XLogP: 6.81
• TPSA: 378.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 32
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1670.90
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl 9-hydroxy-10-methoxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;ethyl 10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;methane;10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;[3-(methoxymethyl)oxetan-3-yl]methyl methanesulfonate;hydroxide?

The IUPAC name of sodium;ethyl 9-hydroxy-10-methoxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;ethyl 10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;methane;10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;[3-(methoxymethyl)oxetan-3-yl]methyl methanesulfonate;hydroxide (CID 159455935) is sodium;ethyl 9-hydroxy-10-methoxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;ethyl 10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;methane;10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;[3-(methoxymethyl)oxetan-3-yl]methyl methanesulfonate;hydroxide.

What is the SMILES notation for sodium;ethyl 9-hydroxy-10-methoxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;ethyl 10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;methane;10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;[3-(methoxymethyl)oxetan-3-yl]methyl methanesulfonate;hydroxide?

The canonical SMILES for sodium;ethyl 9-hydroxy-10-methoxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;ethyl 10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;methane;10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;[3-(methoxymethyl)oxetan-3-yl]methyl methanesulfonate;hydroxide is C.CCOC(=O)c1cn2c(cc1=O)-c1cc(OC)c(O)cc1CC2C(C)(C)COC.CCOC(=O)c1cn2c(cc1=O)-c1cc(OC)c(OCC3(COC)COC3)cc1CC2C(C)(C)COC.COCC1(COS(C)(=O)=O)COC1.COCC1(COc2cc3c(cc2OC)-c2cc(=O)c(C(=O)O)cn2C(C(C)(C)COC)C3)COC1.[Na+].[OH-].

What is the InChIKey of sodium;ethyl 9-hydroxy-10-methoxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;ethyl 10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;methane;10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;[3-(methoxymethyl)oxetan-3-yl]methyl methanesulfonate;hydroxide?

The InChIKey is LTYWYSZYGRUKMX-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H37NO8.C26H33NO8.C22H27NO6.C7H14O5S.CH4.Na.H2O/c1-7-36-26(31)20-12-29-21(11-22(20)30)19-10-23(34-6)24(37-17-28(14-33-5)15-35-16-28)8-18(19)9-25(29)27(2,3)13-32-4;1-25(2,11-31-3)23-7-16-6-22(35-15-26(12-32-4)13-34-14-26)21(33-5)8-17(16)19-9-20(28)18(24(29)30)10-27(19)23;1-6-29-21(26)15-11-23-16(10-17(15)24)14-9-19(28-5)18(25)7-13(14)8-20(23)22(2,3)12-27-4;1-10-3-7(4-11-5-7)6-12-13(2,8)9;;;/h8,10-12,25H,7,9,13-17H2,1-6H3;6,8-10,23H,7,11-15H2,1-5H3,(H,29,30);7,9-11,20,25H,6,8,12H2,1-5H3;3-6H2,1-2H3;1H4;;1H2/q;;;;;+1;/p-1.

What are the key properties of sodium;ethyl 9-hydroxy-10-methoxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;ethyl 10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;methane;10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;[3-(methoxymethyl)oxetan-3-yl]methyl methanesulfonate;hydroxide?

sodium;ethyl 9-hydroxy-10-methoxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;ethyl 10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;methane;10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;[3-(methoxymethyl)oxetan-3-yl]methyl methanesulfonate;hydroxide has a molecular weight of 1670.90 g/mol, XLogP of 6.81, 32 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;ethyl 9-hydroxy-10-methoxy-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;ethyl 10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylate;methane;10-methoxy-9-[[3-(methoxymethyl)oxetan-3-yl]methoxy]-6-(1-methoxy-2-methylpropan-2-yl)-2-oxo-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid;[3-(methoxymethyl)oxetan-3-yl]methyl methanesulfonate;hydroxide is sourced from PubChem (CID 159455935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).