sodium;bromomethylbenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylate;6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylic acid;hydroxide

C96H107BrClN8NaO14 — CID 158123389

About sodium;bromomethylbenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylate;6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylic acid;hydroxide

sodium;bromomethylbenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylate;6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylic acid;hydroxide (PubChem CID 158123389) has the molecular formula C96H107BrClN8NaO14 and a molecular weight of 1735.30 g/mol. Its IUPAC name is sodium;bromomethylbenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylate;6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: sodium;bromomethylbenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylate;6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylic acid;hydroxide
• PubChem CID: 158123389
• Molecular Formula: C96H107BrClN8NaO14
• Molecular Weight: 1735.30 g/mol
• Exact Mass: 1732.67
• IUPAC Name: sodium;bromomethylbenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylate;6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylic acid;hydroxide
• SMILES: BrCc1ccccc1.CCOC(=O)c1cc2cccn2c(C(C)O)c1C.CCOC(=O)c1cc2cccn2c(C(C)OCc2ccccc2)c1C.Cc1c(C(=O)O)cc2cccn2c1C(C)OCc1ccccc1.Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccccc3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.[Na+].[OH-]
• InChI: InChI=1S/C27H29N3O3.C21H23NO3.C19H19NO3.C14H17NO3.C8H11ClN2O.C7H7Br.Na.H2O/c1-17-13-18(2)29-27(32)24(17)15-28-26(31)23-14-22-11-8-12-30(22)25(19(23)3)20(4)33-16-21-9-6-5-7-10-21;1-4-24-21(23)19-13-18-11-8-12-22(18)20(15(19)2)16(3)25-14-17-9-6-5-7-10-17;1-13-17(19(21)22)11-16-9-6-10-20(16)18(13)14(2)23-12-15-7-4-3-5-8-15;1-4-18-14(17)12-8-11-6-5-7-15(11)13(9(12)2)10(3)16;1-5-3-6(2)11-8(12)7(5)4-10-9;8-6-7-4-2-1-3-5-7;;/h5-14,20H,15-16H2,1-4H3,(H,28,31)(H,29,32);5-13,16H,4,14H2,1-3H3;3-11,14H,12H2,1-2H3,(H,21,22);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);1-5H,6H2;;1H2/q;;;;;;+1;/p-1
• InChIKey: FRWGOSRKBQNJDU-UHFFFAOYSA-M
• XLogP: 16.81
• TPSA: 292.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1735.30
LogP ≤ 5	16.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;bromomethylbenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylate;6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylic acid;hydroxide?

The IUPAC name of sodium;bromomethylbenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylate;6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylic acid;hydroxide (CID 158123389) is sodium;bromomethylbenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylate;6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylic acid;hydroxide.

What is the SMILES notation for sodium;bromomethylbenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylate;6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylic acid;hydroxide?

The canonical SMILES for sodium;bromomethylbenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylate;6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylic acid;hydroxide is BrCc1ccccc1.CCOC(=O)c1cc2cccn2c(C(C)O)c1C.CCOC(=O)c1cc2cccn2c(C(C)OCc2ccccc2)c1C.Cc1c(C(=O)O)cc2cccn2c1C(C)OCc1ccccc1.Cc1cc(C)c(CNC(=O)c2cc3cccn3c(C(C)OCc3ccccc3)c2C)c(=O)[nH]1.Cc1cc(C)c(CNCl)c(=O)[nH]1.[Na+].[OH-].

What is the InChIKey of sodium;bromomethylbenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylate;6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylic acid;hydroxide?

The InChIKey is FRWGOSRKBQNJDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H29N3O3.C21H23NO3.C19H19NO3.C14H17NO3.C8H11ClN2O.C7H7Br.Na.H2O/c1-17-13-18(2)29-27(32)24(17)15-28-26(31)23-14-22-11-8-12-30(22)25(19(23)3)20(4)33-16-21-9-6-5-7-10-21;1-4-24-21(23)19-13-18-11-8-12-22(18)20(15(19)2)16(3)25-14-17-9-6-5-7-10-17;1-13-17(19(21)22)11-16-9-6-10-20(16)18(13)14(2)23-12-15-7-4-3-5-8-15;1-4-18-14(17)12-8-11-6-5-7-15(11)13(9(12)2)10(3)16;1-5-3-6(2)11-8(12)7(5)4-10-9;8-6-7-4-2-1-3-5-7;;/h5-14,20H,15-16H2,1-4H3,(H,28,31)(H,29,32);5-13,16H,4,14H2,1-3H3;3-11,14H,12H2,1-2H3,(H,21,22);5-8,10,16H,4H2,1-3H3;3,10H,4H2,1-2H3,(H,11,12);1-5H,6H2;;1H2/q;;;;;;+1;/p-1.

What are the key properties of sodium;bromomethylbenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylate;6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylic acid;hydroxide?

sodium;bromomethylbenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylate;6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylic acid;hydroxide has a molecular weight of 1735.30 g/mol, XLogP of 16.81, 24 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;bromomethylbenzene;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxamide;ethyl 5-(1-hydroxyethyl)-6-methylindolizine-7-carboxylate;ethyl 6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylate;6-methyl-5-(1-phenylmethoxyethyl)indolizine-7-carboxylic acid;hydroxide is sourced from PubChem (CID 158123389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).