carbon dioxide;methane;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-4-[(13R,15R)-7-chloro-17-ethyl-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8,16-pentaen-13-yl]-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl 7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate

C93H114Cl2N8O14 — CID 162232048

About carbon dioxide;methane;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-4-[(13R,15R)-7-chloro-17-ethyl-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8,16-pentaen-13-yl]-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl 7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate

carbon dioxide;methane;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-4-[(13R,15R)-7-chloro-17-ethyl-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8,16-pentaen-13-yl]-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl 7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate (PubChem CID 162232048) has the molecular formula C93H114Cl2N8O14 and a molecular weight of 1638.88 g/mol. Its IUPAC name is carbon dioxide;methane;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-4-[(13R,15R)-7-chloro-17-ethyl-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8,16-pentaen-13-yl]-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl 7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate.

Molecular Properties

• Compound Name: carbon dioxide;methane;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-4-[(13R,15R)-7-chloro-17-ethyl-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8,16-pentaen-13-yl]-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl 7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate
• PubChem CID: 162232048
• Molecular Formula: C93H114Cl2N8O14
• Molecular Weight: 1638.88 g/mol
• Exact Mass: 1636.78
• IUPAC Name: carbon dioxide;methane;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-4-[(13R,15R)-7-chloro-17-ethyl-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8,16-pentaen-13-yl]-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl 7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate
• SMILES: C.CCC1=CC2CN3CCc4c([nH]c5ccc(Cl)cc45)C(C(=O)OC)(C2)C13.CCC1=C[C@@H]2CN(CCc3c([nH]c4ccc(Cl)cc34)[C@@](C)(c3cc4c(cc3C)N(C)C3[C@]45CCN4CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]3(O)C(=O)OC)[C@H]45)C2)C1.CC[C@]12C=CCN3CC[C@@]4(c5ccc(C)cc5N(C)C4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32.O=C=O
• InChI: InChI=1S/C45H55ClN4O5.C25H32N2O5.C21H23ClN2O2.CO2.CH4/c1-8-28-20-29-23-42(5,37-31(13-17-49(24-28)25-29)32-21-30(46)11-12-35(32)47-37)33-22-34-36(19-26(33)3)48(6)39-44(34)15-18-50-16-10-14-43(9-2,38(44)50)40(55-27(4)51)45(39,53)41(52)54-7;1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-15(2)14-18(17)26(4)20(24)25(30,22(29)31-5)21(23)32-16(3)28;1-3-13-8-12-10-21(20(25)26-2)18-15(6-7-24(11-12)19(13)21)16-9-14(22)4-5-17(16)23-18;2-1-3;/h10-12,14,19-22,29,38-40,47,53H,8-9,13,15-18,23-25H2,1-7H3;7-10,14,19-21,30H,6,11-13H2,1-5H3;4-5,8-9,12,19,23H,3,6-7,10-11H2,1-2H3;;1H4/t29-,38-,39?,40+,42+,43+,44+,45-;19-,20?,21+,23+,24+,25-;;;/m00.../s1
• InChIKey: ZVODXLHIYQGRGZ-BBNWDMIQSA-N
• XLogP: 12.42
• TPSA: 257.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1638.88
LogP ≤ 5	12.42
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;methane;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-4-[(13R,15R)-7-chloro-17-ethyl-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8,16-pentaen-13-yl]-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl 7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate?

The IUPAC name of carbon dioxide;methane;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-4-[(13R,15R)-7-chloro-17-ethyl-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8,16-pentaen-13-yl]-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl 7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate (CID 162232048) is carbon dioxide;methane;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-4-[(13R,15R)-7-chloro-17-ethyl-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8,16-pentaen-13-yl]-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl 7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate.

What is the SMILES notation for carbon dioxide;methane;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-4-[(13R,15R)-7-chloro-17-ethyl-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8,16-pentaen-13-yl]-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl 7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate?

The canonical SMILES for carbon dioxide;methane;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-4-[(13R,15R)-7-chloro-17-ethyl-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8,16-pentaen-13-yl]-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl 7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate is C.CCC1=CC2CN3CCc4c([nH]c5ccc(Cl)cc45)C(C(=O)OC)(C2)C13.CCC1=C[C@@H]2CN(CCc3c([nH]c4ccc(Cl)cc34)[C@@](C)(c3cc4c(cc3C)N(C)C3[C@]45CCN4CC=C[C@@](CC)([C@@H](OC(C)=O)[C@]3(O)C(=O)OC)[C@H]45)C2)C1.CC[C@]12C=CCN3CC[C@@]4(c5ccc(C)cc5N(C)C4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32.O=C=O.

What is the InChIKey of carbon dioxide;methane;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-4-[(13R,15R)-7-chloro-17-ethyl-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8,16-pentaen-13-yl]-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl 7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate?

The InChIKey is ZVODXLHIYQGRGZ-BBNWDMIQSA-N. The full InChI is InChI=1S/C45H55ClN4O5.C25H32N2O5.C21H23ClN2O2.CO2.CH4/c1-8-28-20-29-23-42(5,37-31(13-17-49(24-28)25-29)32-21-30(46)11-12-35(32)47-37)33-22-34-36(19-26(33)3)48(6)39-44(34)15-18-50-16-10-14-43(9-2,38(44)50)40(55-27(4)51)45(39,53)41(52)54-7;1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-15(2)14-18(17)26(4)20(24)25(30,22(29)31-5)21(23)32-16(3)28;1-3-13-8-12-10-21(20(25)26-2)18-15(6-7-24(11-12)19(13)21)16-9-14(22)4-5-17(16)23-18;2-1-3;/h10-12,14,19-22,29,38-40,47,53H,8-9,13,15-18,23-25H2,1-7H3;7-10,14,19-21,30H,6,11-13H2,1-5H3;4-5,8-9,12,19,23H,3,6-7,10-11H2,1-2H3;;1H4/t29-,38-,39?,40+,42+,43+,44+,45-;19-,20?,21+,23+,24+,25-;;;/m00.../s1.

What are the key properties of carbon dioxide;methane;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-4-[(13R,15R)-7-chloro-17-ethyl-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8,16-pentaen-13-yl]-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl 7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate?

carbon dioxide;methane;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-4-[(13R,15R)-7-chloro-17-ethyl-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8,16-pentaen-13-yl]-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl 7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate has a molecular weight of 1638.88 g/mol, XLogP of 12.42, 10 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;methane;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-4-[(13R,15R)-7-chloro-17-ethyl-13-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8,16-pentaen-13-yl]-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl (1R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5,8-dimethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate;methyl 7-chloro-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7,16-pentaene-1-carboxylate is sourced from PubChem (CID 162232048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).