Fluodexan

HCID 196325

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 95017-33-7
Standard SMILES: COc1c(Cc2cc3ccccc3c(C(=O)OCC(=O)[C@@]34OC(C)(C)O[C@H]3CC3C5CCC6=CC(=O)C=C[C@]6(C)C5(F)[C@@H](O)C[C@@]34C)c2OC)cc2ccccc2c1C(=O)OCC(=O)[C@@]12OC(C)(C)O[C@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)C3(F)[C@H](O)C[C@@]12C.NC(N)=O
InChIKey: WPXPUZHOTNEMEG-AKIVQBQCSA-N
Molecular formula: C74H82F2N2O17
Average molar mass: 1,309.4 g/mol
Monoisotopic mass: 1,308.55815548

Overview

combination of flupamesone & urea

Names & identifiers

Preferred name: Fluodexan
IUPAC: [2-[(4S,8S,9S,11S,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethyl] 3-[[4-[2-[(4S,8S,9S,11R,13S)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-8-yl]-2-oxoethoxy]carbonyl-3-methoxynaphthalen-2-yl]methyl]-2-methoxynaphthalene-1-carboxylate;urea
English name: fluodexan
Molecular formula: C74H82F2N2O17
Molecular weight: 1309.4428864

Names & synonyms

Fluodexan95017-33-7Pregna-1,4-diene-3,20-dione, 21,21'-(methylenebis((2-methoxy-1,3-naphthalenediyl)carbonyloxy))bis(9-fluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11beta,16alpha)-(11'beta,16'alpha)-, mixt. with ureaRefChem:140863PubChem ID: 196325

Database identifiers

CAS: 95017-33-7
PubChem CID: 196325

Properties

Computed structural properties

Topological polar surface area: 286 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 19
Rotatable bonds: 14
Heavy atoms: 95
Formal charge: 0
Complexity: 3,000

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…