sodium;7-[1-(chloromethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;deuterio(fluoro)methane

C139H159ClF5N12NaO40 — CID 158023860

About sodium;7-[1-(chloromethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;deuterio(fluoro)methane

sodium;7-[1-(chloromethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;deuterio(fluoro)methane (PubChem CID 158023860) has the molecular formula C139H159ClF5N12NaO40 and a molecular weight of 2792.28 g/mol. Its IUPAC name is sodium;7-[1-(chloromethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;deuterio(fluoro)methane.

Molecular Properties

• Compound Name: sodium;7-[1-(chloromethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;deuterio(fluoro)methane
• PubChem CID: 158023860
• Molecular Formula: C139H159ClF5N12NaO40
• Molecular Weight: 2792.28 g/mol
• Exact Mass: 2790.03
• IUPAC Name: sodium;7-[1-(chloromethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;deuterio(fluoro)methane
• SMILES: COc1c(N2CC3CCCN(C(=O)OCCl)C3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CC3CCCN(C(=O)OCOC(=O)c4cn(C5CC5)c5c(OC)c(N6CCN(C(=O)OCOC(=O)CCC(=O)OCC(=O)[C@@]7(O)CCC8C9CCC%10=CC(=O)C=C[C@]%10(C)C9C(O)C[C@@]87C)C(C)C6)c(F)cc5c4=O)C3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CCN(C(=O)OCOC(=O)CCC(=O)OCC(=O)[C@@]3(O)CCC4C5CCC6=CC(=O)C=C[C@]6(C)C5C(O)C[C@@]43C)C(C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12.[2H]CF.[Na+]
• InChI: InChI=1S/C69H78F2N6O20.C46H54FN3O14.C23H25ClFN3O6.CH3F.Na/c1-35-27-72(21-22-74(35)65(88)96-33-94-53(82)15-14-52(81)93-32-51(80)69(90)19-17-46-41-13-8-37-23-40(78)16-18-67(37,2)54(41)50(79)26-68(46,69)3)57-47(70)25-43-56(61(57)91-4)77(39-11-12-39)30-45(60(43)84)64(87)95-34-97-66(89)75-20-6-7-36-28-73(31-49(36)75)58-48(71)24-42-55(62(58)92-5)76(38-9-10-38)29-44(59(42)83)63(85)86;1-24-20-48(39-32(47)18-29-38(41(39)61-4)50(26-6-7-26)21-30(40(29)56)42(57)58)15-16-49(24)43(59)64-23-63-36(55)10-9-35(54)62-22-34(53)46(60)14-12-31-28-8-5-25-17-27(51)11-13-44(25,2)37(28)33(52)19-45(31,46)3;1-33-21-18-14(20(29)15(22(30)31)9-28(18)13-4-5-13)7-16(25)19(21)26-8-12-3-2-6-27(17(12)10-26)23(32)34-11-24;1-2;/h16,18,23-25,29-30,35-36,38-39,41,46,49-50,54,79,90H,6-15,17,19-22,26-28,31-34H2,1-5H3,(H,85,86);11,13,17-18,21,24,26,28,31,33,37,52,60H,5-10,12,14-16,19-20,22-23H2,1-4H3,(H,57,58);7,9,12-13,17H,2-6,8,10-11H2,1H3,(H,30,31);1H3;/q;;;;+1/p-1/t35?,36?,41?,46?,49?,50?,54?,67-,68-,69-;24?,28?,31?,33?,37?,44-,45-,46-;;;/m00.../s1/i;;;1D
• InChIKey: FGJLQBNXXQEPCE-WKAXLZTBSA-M
• XLogP: 10.78
• TPSA: 651.47 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 46
• Rotatable Bonds: 35
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2792.28
LogP ≤ 5	10.78
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;7-[1-(chloromethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;deuterio(fluoro)methane?

The IUPAC name of sodium;7-[1-(chloromethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;deuterio(fluoro)methane (CID 158023860) is sodium;7-[1-(chloromethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;deuterio(fluoro)methane.

What is the SMILES notation for sodium;7-[1-(chloromethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;deuterio(fluoro)methane?

The canonical SMILES for sodium;7-[1-(chloromethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;deuterio(fluoro)methane is COc1c(N2CC3CCCN(C(=O)OCCl)C3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CC3CCCN(C(=O)OCOC(=O)c4cn(C5CC5)c5c(OC)c(N6CCN(C(=O)OCOC(=O)CCC(=O)OCC(=O)[C@@]7(O)CCC8C9CCC%10=CC(=O)C=C[C@]%10(C)C9C(O)C[C@@]87C)C(C)C6)c(F)cc5c4=O)C3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CCN(C(=O)OCOC(=O)CCC(=O)OCC(=O)[C@@]3(O)CCC4C5CCC6=CC(=O)C=C[C@]6(C)C5C(O)C[C@@]43C)C(C)C2)c(F)cc2c(=O)c(C(=O)[O-])cn(C3CC3)c12.[2H]CF.[Na+].

What is the InChIKey of sodium;7-[1-(chloromethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;deuterio(fluoro)methane?

The InChIKey is FGJLQBNXXQEPCE-WKAXLZTBSA-M. The full InChI is InChI=1S/C69H78F2N6O20.C46H54FN3O14.C23H25ClFN3O6.CH3F.Na/c1-35-27-72(21-22-74(35)65(88)96-33-94-53(82)15-14-52(81)93-32-51(80)69(90)19-17-46-41-13-8-37-23-40(78)16-18-67(37,2)54(41)50(79)26-68(46,69)3)57-47(70)25-43-56(61(57)91-4)77(39-11-12-39)30-45(60(43)84)64(87)95-34-97-66(89)75-20-6-7-36-28-73(31-49(36)75)58-48(71)24-42-55(62(58)92-5)76(38-9-10-38)29-44(59(42)83)63(85)86;1-24-20-48(39-32(47)18-29-38(41(39)61-4)50(26-6-7-26)21-30(40(29)56)42(57)58)15-16-49(24)43(59)64-23-63-36(55)10-9-35(54)62-22-34(53)46(60)14-12-31-28-8-5-25-17-27(51)11-13-44(25,2)37(28)33(52)19-45(31,46)3;1-33-21-18-14(20(29)15(22(30)31)9-28(18)13-4-5-13)7-16(25)19(21)26-8-12-3-2-6-27(17(12)10-26)23(32)34-11-24;1-2;/h16,18,23-25,29-30,35-36,38-39,41,46,49-50,54,79,90H,6-15,17,19-22,26-28,31-34H2,1-5H3,(H,85,86);11,13,17-18,21,24,26,28,31,33,37,52,60H,5-10,12,14-16,19-20,22-23H2,1-4H3,(H,57,58);7,9,12-13,17H,2-6,8,10-11H2,1H3,(H,30,31);1H3;/q;;;;+1/p-1/t35?,36?,41?,46?,49?,50?,54?,67-,68-,69-;24?,28?,31?,33?,37?,44-,45-,46-;;;/m00.../s1/i;;;1D;.

What are the key properties of sodium;7-[1-(chloromethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;deuterio(fluoro)methane?

sodium;7-[1-(chloromethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;deuterio(fluoro)methane has a molecular weight of 2792.28 g/mol, XLogP of 10.78, 35 rotatable bonds, 6 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;7-[1-(chloromethoxycarbonyl)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[1-[[1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]oxymethoxycarbonyl]-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-6-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid;1-cyclopropyl-7-[4-[[4-[2-[(10R,11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoyl]oxymethoxycarbonyl]-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylate;deuterio(fluoro)methane is sourced from PubChem (CID 158023860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).