(RS)-4-{4-[2-(4-Fluoro-phenyl)-pyrrolidine-1-sulfonyl]-benzyl}-morpholine fumarate

HCID 69693329

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Basic information

CAS: 298690-64-9
Standard SMILES: O=C(O)/C=C/C(=O)O.O=S(=O)(c1ccc(CN2CCOCC2)cc1)N1CCCC1c1ccc(F)cc1
InChIKey: FKKRJWRANKEPBA-WLHGVMLRSA-N
Molecular formula: C25H29FN2O7S
Average molar mass: 520.6 g/mol
Monoisotopic mass: 520.1679506

Names & identifiers

Preferred name: (RS)-4-{4-[2-(4-Fluoro-phenyl)-pyrrolidine-1-sulfonyl]-benzyl}-morpholine fumarate
IUPAC: (E)-but-2-enedioic acid;4-[[4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]methyl]morpholine

Names & synonyms

SCHEMBL6179059FKKRJWRANKEPBA-WLHGVMLRSA-NDTXSID001380338(RS)-4-{4-[2-(4-Fluoro-phenyl)-pyrrolidine-1-sulfonyl]-benzyl }-morpholine fumarate298690-64-9Pyrrolidine, 2-(4-fluorophenyl)-1-[[4-(4-morpholinylmethyl)phenyl]sulfonyl]-, (2E)-2-butenedioate (1:1)

Database identifiers

CAS: 298690-64-9
PubChem CID: 69693329
DTXSID: DTXSID001380338

Properties

Computed structural properties

Topological polar surface area: 133 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 7
Heavy atoms: 36
Formal charge: 0
Complexity: 708

Related reactions

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HRID 1594766As productuspto-grants-2001_09

Compound notes

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