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Basic information
- CAS
39123-11-0- Standard SMILES
O=C(OCCN1CCCCC1)C1CC1(c1ccccc1)c1ccccc1- InChIKey
RBGWIGCQQIJVGI-UHFFFAOYSA-N- Molecular formula
- C23H27NO2
- Average molar mass
- 349.5 g/mol
- Monoisotopic mass
- 349.2041791
Names & identifiers
- Preferred name
- Pituxate
- IUPAC
- 2-piperidin-1-ylethyl 2,2-diphenylcyclopropane-1-carboxylate
- English name
- pituxate
- Molecular formula
- C23H27NO2
- Molecular weight
- 349.47
Names & synonyms
PituxatePituxate [INN]PituxatoPituxatum [INN-Latin]PituxatumPituxato [INN-Spanish]EINECS 254-304-5UNII-4728AWF76J4728AWF76J2-(1-Piperidinyl)ethyl 2,2-diphenylcyclopropanecarboxylatebeta-Piperidino-ethyl ester of 2,2-diphenylcyclopropanecarboxylic acidCyclopropanecarboxylic acid, 2,2-diphenyl-, 2-(1-piperidinyl)ethyl ester
Show more names
2-piperidin-1-ylethyl 2,2-di(phenyl)cyclopropane-1-carboxylate2,2-Diphenylcyclopropanecarboxylic acid 2-piperidinoethyl ester2,2-Diphenylcyclopropanecarboxylic acid 2-(1-piperidinyl)ethyl ester
Pituxatum (INN-Latin)Pituxato (INN-Spanish)RefChem:174613254-304-539123-11-02-piperidin-1-ylethyl 2,2-diphenylcyclopropane-1-carboxylate2-Piperidinoethyl 2,2-diphenylcyclopropanecarboxylateSCHEMBL2109192
Database identifiers
- CAS
39123-11-0- PubChem CID
- 65810
- DTXSID
DTXSID50865944- ChEMBL
CHEMBL2105254- UNII
- 4728AWF76J
- EC Number
- 254-304-5
- Nikkaji
- J15.813E
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 441
Physicochemical properties
- Boiling point
- 476.7 · 476.7±45.0 °C(Predicted)
- Density
- 1.135 · 1.135±0.06 g/cm3(Predicted)
- pka
- 8.3 · 8.30±0.10(Predicted)
- FDA UNII
- 4728 AWF76J · 4728AWF76J
Chemistry & industry
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
1 records
Compound notes
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