Basic information
- CAS
35100-44-8- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C- InChIKey
VDNZZIYSCXESNI-ILSZZQPISA-N- Molecular formula
- C22H30O3
- Average molar mass
- 342.5 g/mol
- Monoisotopic mass
- 342.21949481
Names & identifiers
- Preferred name
- Endrysone
- IUPAC
- (6S,8S,9S,10R,11S,13S,14S,17S)-17-acetyl-11-hydroxy-6,10,13-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
- English name
- endrisone
- Molecular formula
- C22H30O3
- Molecular weight
- 342.47
Names & synonyms
EndrisoneENDRYSONE35100-44-8EndrisonaEndrysone [USAN]EndrisonumEndrisone [INN]Endrisona [Spanish]Endrisonum [INN-Latin]Endrisona [INN-Spanish]1QZ096EIEF11beta-Hydroxy-6alpha-methylpregna-1,4-diene-3,20-dione
Show more names
Aldrisone11β-Hydroxy-6α-methylpregna-1,4-diene-3,20-dionePregna-1,4-diene-3,20-dione, 11-hydroxy-6-methyl-, (6α,11β)-
EINECS 252-362-6ENDRISONE [MART.]DTXSID401043364Endrisonum (INN-Latin)Endrisona (INN-Spanish)ENDRISONE (MART.)Pregna-1,4-diene-3,20-dione, 11-hydroxy-6-methyl-, (6.alpha.,11.beta.)-Pregna-1,4-diene-3,20-dione, 11-hydroxy-6-methyl-, (6alpha,11beta)-
Database identifiers
- CAS
35100-44-8- PubChem CID
- 71422
- DTXSID
DTXSID401043364- ChEMBL
CHEMBL2104631- UNII
- 1QZ096EIEF
- EC Number
- 252-362-6
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 689
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 494.7 · 494.7±45.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 14.43 · 14.43±0.70(Predicted)
- FDA UNII
- 1 QZ096EIEF · 1QZ096EIEF
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - Pregna-1,4-diene-3,20-dione, 11-hydroxy-6-methyl-, (6.alpha.,11.beta.)-: Environment tier I assessment
Chemistry & industry
Applications
UsesAnti-inflammatory (topical, ophthalmic).
Suppliers2 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
深圳卓越生物医药科技有限公司26050679 18318671572 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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