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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 159190332Generated: October 30, 2026

sodium;6-chloro-5-[2-(3,4-difluorophenyl)acetyl]-7-sulfinatochloranuidyl-2,3-dihydro-1H-pyrrolizine;2-chloro-3-[2-(3,4-difluorophenyl)acetyl]-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrrolizine-1-sulfonamide;bis(1-(2-chloro-6,7-dihydro-5H-pyrrolizin-3-yl)-2-(3,4-difluorophenyl)ethanone);deuteriomethanethiol;3,4-difluoroaniline;ethyl 2-chloro-6,7-dihydro-5H-pyrrolizine-3-carboxylate;ethyl 2-chloro-5H-indolizine-3-carboxylate;ethyl 2-chloro-5H-pyrrolizine-3-carboxylate;hydride;methane;sulfurochloridic acid;sulfur trioxide;thionyl dichloride;1,1,1-trifluoropropan-2-amine

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sodium;6-chloro-5-[2-(3,4-difluorophenyl)acetyl]-7-sulfinatochloranuidyl-2,3-dihydro-1H-pyrrolizine;2-chloro-3-[2-(3,4-difluorophenyl)acetyl]-N-(1,1,1-trifluoropropan-2-yl)-6,7-dihydro-5H-pyrrolizine-1-sulfonamide;bis(1-(2-chloro-6,7-dihydro-5H-pyrrolizin-3-yl)-2-(3,4-difluorophenyl)ethanone);deuteriomethanethiol;3,4-difluoroaniline;ethyl 2-chloro-6,7-dihydro-5H-pyrrolizine-3-carboxylate;ethyl 2-chloro-5H-indolizine-3-carboxylate;ethyl 2-chloro-5H-pyrrolizine-3-carboxylate;hydride;methane;sulfurochloridic acid;sulfur trioxide;thionyl dichloride;1,1,1-trifluoropropan-2-amine molecular structure

Identifiers & Physical Properties

Molecular formulaC107H112Cl11F16N10NaO21S6-2
Average molar mass2,784.4 g/mol
SMILES[H-].[2H]CS.C.C.C.CCOC(=O)C1=C(C=C2N1CCC2)Cl.CCOC(=O)C1=C(C=C2N1CC=C2)Cl.CCOC(=O)C1=C(C=C2N1CC=C=C2)Cl.CC(C(F)(F)F)N.CC(C(F)(F)F)NS(=O)(=O)C1=C2CCCN2C(=C1Cl)C(=O)CC3=CC(=C(C=C3)F)F.C1CC2=CC(=C(N2C1)C(=O)CC3=CC(=C(C=C3)F)F)Cl.C1CC2=CC(=C(N2C1)C(=O)CC3=CC(=C(C=C3)F)F)Cl.C1CC2=C(C(=C(N2C1)C(=O)CC3=CC(=C(C=C3)F)F)Cl)[Cl-]S(=O)[O-].C1=CC(=C(C=C1N)F)F.OS(=O)(=O)Cl.O=S(=O)=O.O=S(Cl)Cl.[Na+]
InChIKeyPDIQKHISORLHIJ-BTLNWKSBSA-M
PubChem CID159190332

Chemical & Physical Properties

Topological polar surface area500
Hydrogen bond donors5
Hydrogen bond acceptors45
Rotatable bonds25
Heavy atoms172
Formal charge-2
Complexity2,800