Etolotifen
Basic information
- CAS
82140-22-5- Standard SMILES
O=C1Cc2ccccc2C(=C2CCN(CCOCCOCCO)CC2)c2ccsc21- InChIKey
BPEQXNIRIPLFRW-UHFFFAOYSA-N- Molecular formula
- C24H29NO4S
- Average molar mass
- 427.6 g/mol
- Monoisotopic mass
- 427.18172958
Names & identifiers
- Preferred name
- Etolotifen
- IUPAC
- 2-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-one
- English name
- Etolotifen
- Molecular weight
- 0
Names & synonyms
Etolotifen82140-22-5Etolotifen [INN]etolotifeneetolotifenoUNII-U64HJ4AK57U64HJ4AK574,9-Dihydro-4-(1-(2-(2-(2-hydroxyethoxy)ethoxy)ethyl)-4-piperidylidene)-10H-benzo(4,5)cyclohepta(1,2-b)thiophen-10-oneetolotifenumRefChem:1392752-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]piperidin-4-ylidene]-6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-8-oneSCHEMBL2109044
Show more names
HE-36-9534,9-Dihydro-4-[1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]piperidin-4-ylidene]-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one
CHEMBL2104308DTXSID60868643BPEQXNIRIPLFRW-UHFFFAOYSA-NNS00120478Q215470564,9-Dihydro-4-(1-(2-(-2(2-hydroxyethoxy)ethoxy)ethyl)-4-piperidylidene)-10H-ben-zo(4,5)cyclohepta(1,2-b)thiophen-10-one.4-(1-{2-[2-(2-Hydroxyethoxy)ethoxy]ethyl}piperidin-4-ylidene)-4,9-dihydro-10H-benzo[4,5]cyclohepta[1,2-b]thiophen-10-one4-{1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]piperidin-4-ylidene}-4H-benzo[4,5]cyclohepta[1,2-b]thiophen-10(9H)one
Database identifiers
- CAS
82140-22-5- PubChem CID
- 208944
- DTXSID
DTXSID60868643- ChEMBL
CHEMBL2104308- UNII
- U64HJ4AK57
- Nikkaji
- J34.494J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 600
Physicochemical properties
- FDA UNII
- 64 HJ4AK57 · U64HJ4AK57
Related reactions
2 records
Compound notes
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