N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-ethylamino]ethanol;(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-2-(piperazin-1-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;tert-butyl 4-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane

C124H157Br2Cl3F5N13O9 — CID 160931012

About N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-ethylamino]ethanol;(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-2-(piperazin-1-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;tert-butyl 4-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane

N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-ethylamino]ethanol;(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-2-(piperazin-1-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;tert-butyl 4-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane (PubChem CID 160931012) has the molecular formula C124H157Br2Cl3F5N13O9 and a molecular weight of 2334.86 g/mol. Its IUPAC name is N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-ethylamino]ethanol;(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-2-(piperazin-1-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;tert-butyl 4-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane.

Molecular Properties

• Compound Name: N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-ethylamino]ethanol;(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-2-(piperazin-1-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;tert-butyl 4-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane
• PubChem CID: 160931012
• Molecular Formula: C124H157Br2Cl3F5N13O9
• Molecular Weight: 2334.86 g/mol
• Exact Mass: 2329.96
• IUPAC Name: N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-ethylamino]ethanol;(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-2-(piperazin-1-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;tert-butyl 4-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane
• SMILES: C.C.CC(C)(C)OC(=O)N1CCN(C[C@H]2CC[C@@H]3[C@H](O2)c2cc(Cl)cc(F)c2N[C@H]3c2ccccc2)CC1.CC(C)CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Br)cc(F)c1N[C@H]2c1ccccc1.CCN(CCO)C[C@H]1CC[C@@H]2[C@H](O1)c1cc(Cl)cc(F)c1N[C@H]2c1ccccc1.CN(C)CCCC(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Br)cc(F)c1N[C@H]2c1ccccc1.Fc1cc(Cl)cc2c1N[C@@H](c1ccccc1)[C@@H]1CC[C@H](CN3CCNCC3)O[C@H]21
• InChI: InChI=1S/C28H35ClFN3O3.C25H31BrFN3O2.C23H28BrFN2O.C23H27ClFN3O.C23H28ClFN2O2.2CH4/c1-28(2,3)36-27(34)33-13-11-32(12-14-33)17-20-9-10-21-24(18-7-5-4-6-8-18)31-25-22(26(21)35-20)15-19(29)16-23(25)30;1-30(2)12-6-9-22(31)28-15-18-10-11-19-23(16-7-4-3-5-8-16)29-24-20(25(19)32-18)13-17(26)14-21(24)27;1-14(2)12-26-13-17-8-9-18-21(15-6-4-3-5-7-15)27-22-19(23(18)28-17)10-16(24)11-20(22)25;24-16-12-19-22(20(25)13-16)27-21(15-4-2-1-3-5-15)18-7-6-17(29-23(18)19)14-28-10-8-26-9-11-28;1-2-27(10-11-28)14-17-8-9-18-21(15-6-4-3-5-7-15)26-22-19(23(18)29-17)12-16(24)13-20(22)25;;/h4-8,15-16,20-21,24,26,31H,9-14,17H2,1-3H3;3-5,7-8,13-14,18-19,23,25,29H,6,9-12,15H2,1-2H3,(H,28,31);3-7,10-11,14,17-18,21,23,26-27H,8-9,12-13H2,1-2H3;1-5,12-13,17-18,21,23,26-27H,6-11,14H2;3-7,12-13,17-18,21,23,26,28H,2,8-11,14H2,1H3;2*1H4/t20-,21+,24+,26+;18-,19+,23+,25+;3*17-,18+,21+,23+;;/m11111../s1
• InChIKey: STGONGYEAQHTAQ-FYBDRTQASA-N
• XLogP: 27.38
• TPSA: 222.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2334.86
LogP ≤ 5	27.38
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-ethylamino]ethanol;(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-2-(piperazin-1-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;tert-butyl 4-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane?

The IUPAC name of N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-ethylamino]ethanol;(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-2-(piperazin-1-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;tert-butyl 4-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane (CID 160931012) is N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-ethylamino]ethanol;(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-2-(piperazin-1-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;tert-butyl 4-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane.

What is the SMILES notation for N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-ethylamino]ethanol;(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-2-(piperazin-1-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;tert-butyl 4-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane?

The canonical SMILES for N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-ethylamino]ethanol;(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-2-(piperazin-1-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;tert-butyl 4-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane is C.C.CC(C)(C)OC(=O)N1CCN(C[C@H]2CC[C@@H]3[C@H](O2)c2cc(Cl)cc(F)c2N[C@H]3c2ccccc2)CC1.CC(C)CNC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Br)cc(F)c1N[C@H]2c1ccccc1.CCN(CCO)C[C@H]1CC[C@@H]2[C@H](O1)c1cc(Cl)cc(F)c1N[C@H]2c1ccccc1.CN(C)CCCC(=O)NC[C@H]1CC[C@@H]2[C@H](O1)c1cc(Br)cc(F)c1N[C@H]2c1ccccc1.Fc1cc(Cl)cc2c1N[C@@H](c1ccccc1)[C@@H]1CC[C@H](CN3CCNCC3)O[C@H]21.

What is the InChIKey of N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-ethylamino]ethanol;(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-2-(piperazin-1-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;tert-butyl 4-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane?

The InChIKey is STGONGYEAQHTAQ-FYBDRTQASA-N. The full InChI is InChI=1S/C28H35ClFN3O3.C25H31BrFN3O2.C23H28BrFN2O.C23H27ClFN3O.C23H28ClFN2O2.2CH4/c1-28(2,3)36-27(34)33-13-11-32(12-14-33)17-20-9-10-21-24(18-7-5-4-6-8-18)31-25-22(26(21)35-20)15-19(29)16-23(25)30;1-30(2)12-6-9-22(31)28-15-18-10-11-19-23(16-7-4-3-5-8-16)29-24-20(25(19)32-18)13-17(26)14-21(24)27;1-14(2)12-26-13-17-8-9-18-21(15-6-4-3-5-7-15)27-22-19(23(18)28-17)10-16(24)11-20(22)25;24-16-12-19-22(20(25)13-16)27-21(15-4-2-1-3-5-15)18-7-6-17(29-23(18)19)14-28-10-8-26-9-11-28;1-2-27(10-11-28)14-17-8-9-18-21(15-6-4-3-5-7-15)26-22-19(23(18)29-17)12-16(24)13-20(22)25;;/h4-8,15-16,20-21,24,26,31H,9-14,17H2,1-3H3;3-5,7-8,13-14,18-19,23,25,29H,6,9-12,15H2,1-2H3,(H,28,31);3-7,10-11,14,17-18,21,23,26-27H,8-9,12-13H2,1-2H3;1-5,12-13,17-18,21,23,26-27H,6-11,14H2;3-7,12-13,17-18,21,23,26,28H,2,8-11,14H2,1H3;2*1H4/t20-,21+,24+,26+;18-,19+,23+,25+;3*17-,18+,21+,23+;;/m11111../s1.

What are the key properties of N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-ethylamino]ethanol;(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-2-(piperazin-1-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;tert-butyl 4-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane?

N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-ethylamino]ethanol;(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-2-(piperazin-1-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;tert-butyl 4-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane has a molecular weight of 2334.86 g/mol, XLogP of 27.38, 24 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-4-(dimethylamino)butanamide;N-[[(2R,4aS,5R,10bS)-9-bromo-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]-2-methylpropan-1-amine;2-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl-ethylamino]ethanol;(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-2-(piperazin-1-ylmethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline;tert-butyl 4-[[(2R,4aS,5R,10bS)-9-chloro-7-fluoro-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl]methyl]piperazine-1-carboxylate;methane is sourced from PubChem (CID 160931012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).