Deflamin
Basic information
- CAS
2825-60-7- Standard SMILES
CC(=O)OCC(=O)C12OC(C)(C)OC1CC1C3CC(C=O)=C4C=C(OCCCl)CCC4(C)C3(F)C(O)CC12C- InChIKey
QNXUUBBKHBYRFW-UHFFFAOYSA-N- Molecular formula
- C29H38ClFO8
- Average molar mass
- 569.1 g/mol
- Monoisotopic mass
- 568.223924
Names & identifiers
- Preferred name
- Deflamin
- IUPAC
- [2-[16-(2-chloroethoxy)-12-fluoro-19-formyl-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-dien-8-yl]-2-oxoethyl] acetate
- English name
- formocortal
- Molecular formula
- C29H38ClFO8
- Molecular weight
- 569.06
Names & synonyms
DeflaminNSC150527SCHEMBL21234455Q5470216[2-(2-chloroethoxy-fluoro-formyl-hydroxy-tetramethyl-[?]yl)-2-oxo-ethyl] acetate2-(2-(2-Chloroethoxy)-4b-fluoro-12-formyl-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,9a,10,10a,10b,11-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl)-2-oxoethyl acetate3-(2-Chloroethoxy)-9-fluoro-11.beta., 16.alpha.,17,21-tetrahydroxy-20-oxopregna-3, 5-diene-6-carboxaldehyde, cyclic 16,17-acetal with acetone, 21-acetatePregna-3, 5-diene-6-carboxaldehyde, 3-(2-chloroethoxy)-9-fluoro-11.beta., 16.alpha.,17,21-tetrahydroxy-20-oxo-, cyclic 16,17-acetal with acetone, 21-acetatePregna-3,5-diene-6-carboxaldehyde, 21-(acetyloxy)-3-(2-chloroethoxy)-9-fluoro-11-hydroxy-16, {17-[(1-methylethylidene)bis(oxy)]-20-oxo-,} (11.beta.,16.alpha.)-Pregna-3,5-diene-6-carboxaldehyde, 3-(2-chloroethoxy)-9-fluoro-11b,16a,17,21-tetrahydroxy-20-oxo-, cyclic 16,17-acetal with acetone, 21-acetateFI-6341Fluderma
Show more names
DeflameneCutisterolCortocin FNSC 150527formocortalFluoforMylonFluoroformylon
Database identifiers
- CAS
2825-60-7- PubChem CID
- 494148
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,150
Physicochemical properties
- Melting point
- 180 · 180-182°
- alpha
- 20 · D20 +26° (chloroform)
- Density
- 1.2 · 1.2000 (estimate)
- FDA UNII
- 8 E21R0Z4M5 · 8E21R0Z4M5
- ATC code
- 1 BA12 · S01BA12
- Toxicity
- 50 in · LD50 in mice: >2000 mg/kg orally; 490 mg/kg s.c.; 537 mg/kg i.p. (Bertazzoli)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 in mice: >2000 mg/kg orally; 490 mg/kg s.c.; 537 mg/kg i.p. (Bertazzoli)
Chemistry & industry
Applications
Usesformocortal is a corticosteroid with antiinflammatory activity used in ophthalmology.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Formocortal is a steroid. It derives from a hydride of a pregnane.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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