Etarotene
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Basic information
- CAS
87719-32-2- Standard SMILES
CCS(=O)(=O)c1ccc(/C=C(\C)c2ccc3c(c2)C(C)(C)CCC3(C)C)cc1- InChIKey
UDAZCXVIYSIEFX-FBMGVBCBSA-N- Molecular formula
- C25H32O2S
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 396.21230143
Overview
Etarotene is a small molecule drug. The usage of the INN stem '-arotene' in the name indicates that Etarotene is a arotinoid derivative. Etarotene has a monoisotopic molecular weight of 396.21 Da.
Names & identifiers
- Preferred name
- Etarotene
- IUPAC
- 6-[(E)-1-(4-ethylsulfonylphenyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
- English name
- Etarotene
- Molecular formula
- C25H32O2S
- Molecular weight
- 396.59
Names & synonyms
EtaroteneEtarotenoEtarotenumArotinoid ethyl sulfoneArotinoid ethyl sulphoneEtarotene [USAN:INN]Etarotenum [INN-Latin]Etaroteno [INN-Spanish]Ro 15-1570/000CCRIS 5451Ro 15-1570UNII-PD3817FE9N
Show more names
Arotinoid ethyl sulfonAROTINOIDETHYLSULPHONENaphthalene, 6-[(1E)-2-[4-(ethylsulfonyl)phenyl]-1-methylethenyl]-1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-4-[[(E)-2-[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethylnaphthalen)-2-yl]-2-methylethen]-1-yl]phenyl ethyl sulfone
Etarotene (USAN)BRN 5132827PD3817FE9NETAROTENE [INN]Ro-15-1570/000ETAROTENE [USAN]Ro-1515700006-((E)-p-(Ethylsulfonyl)-alpha-methylstyryl)-1,2,3,4-tetrahydronaphthalene
Database identifiers
- CAS
87719-32-2- PubChem CID
- 6435463
- DTXSID
DTXSID101318671
Properties
Computed structural propertiesFilling in
- XLogP
- 7.5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 672
Physicochemical properties
- Boiling point
- 532.4 · 532.4±50.0 °C(Predicted)
- Density
- 1.059 · 1.059±0.06 g/cm3(Predicted)
- FDA UNII
- 3817 FE9N · PD3817FE9N
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesKeratolytic.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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