Basic information
- CAS
15790-02-0- Standard SMILES
CC(=O)Oc1ccc(CC(C(=O)OC2C[C@H]3CC[C@@H](C2)N3C)c2ccccc2)cc1- InChIKey
WYYRXLABEPJODI-ZLPMCDRXSA-N- Molecular formula
- C25H29NO4
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.20965841
Overview
See also: Tropodifene (annotation moved to).
Names & identifiers
- Preferred name
- Tropodifene
- IUPAC
- [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(4-acetyloxyphenyl)-2-phenylpropanoate
- English name
- Tropodifene
- Molecular formula
- C25H29NO4
- Molecular weight
- 407.5
Names & synonyms
Tropodifene15790-02-0TropodifenoTropodifene [INN]7W0QT89YCD[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-(4-acetyloxyphenyl)-2-phenylpropanoateTropodifenumTropine 3-(p-hydroxyphenyl-2-phenylpropionate (ester) acetate (ester)Tropodifenum [INN-Latin]UNII-7W0QT89YCDTropodifeno [INN-Spanish]3alpha-Tropanyl 3-(4-acetoxyphenyl)-2-phenylpropionat
Show more names
Tropaphen(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-(4-acetyloxyphenyl)-2-phenylpropanoateBenzenepropanoic acid, 4-(acetyloxy)-α-phenyl-, (3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
orb1708321CHEMBL2105598DTXSID401043138HY-U00313AKOS040740459Tropine 3-(p-hydroxyphenyl)-2-phenylpropionate (ester) acetate (ester)CS-7311DA-58765
Database identifiers
- CAS
15790-02-0
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 580
Physicochemical properties
- Boiling point
- 508.5 · 508.5±50.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 9.99 · 9.99±0.40(Predicted)
- FDA UNII
- 7 W0QT89YCD · 7W0QT89YCD
Chemistry & industry
Applications
UsesTropodifene (Tropaphen) is an α-Adrenergic receptor inhibitor.
Suppliers7 total
MedChemexpress LLC021-58955995 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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