Basic information
- CAS
351862-32-3- Standard SMILES
Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1- InChIKey
HKFMQJUJWSFOLY-OAQYLSRUSA-N- Molecular formula
- C22H21FN2O
- Average molar mass
- 348.4 g/mol
Overview
serotonin 5-HT1A agonist improves motor complications in rodent and primate parkinsonian models
Names & identifiers
- Preferred name
- Sarizotan
- IUPAC
- 1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]methanamine
- English name
- Sarizotan
- Molecular formula
- C22H21FN2O
- Molecular weight
- 348.41
Names & synonyms
Sarizotan351862-32-3467LU0UCUWEMD-776971-(5-(4-Fluorophenyl)pyridin-3-yl)-N-((2R)-3,4,4a,8a-tetrahydro-2H-chromen-2-ylmethyl)methanamine3-Pyridinemethanamine, 5-(4-fluorophenyl)-N-(((2R)-3,4,4a,8a-tetrahydro-2H-1-benzopyran-2-yl)methyl)-sarizotanumRefChem:181428DTXCID601384590(((2R)-3,4-dihydro-2H-1-benzopyran-2-yl)methyl)(((5-(4-fluorophenyl)pyridin-3-yl)methyl))amineDTXSID80956632Sarizotan [INN]
Show more names
Rotigotine Impurity 26-d3
UNII-467LU0UCUW1-[(2R)-3,4-dihydro-2H-chromen-2-yl]-N-[[5-(4-fluorophenyl)pyridin-3-yl]methyl]methanamine(R)-1-(chroman-2-yl)-N-((5-(4-fluorophenyl)pyridin-3-yl)methyl)methanamine3-Pyridinemethanamine, N-[[(2R)-3,4-dihydro-2H-1-benzopyran-2-yl]methyl]-5-(4-fluorophenyl)-3-PYRIDINEMETHANAMINE, N-(((2R)-3,4-DIHYDRO-2H-1-BENZOPYRAN-2-YL)METHYL)-5-(4-FLUOROPHENYL)-Sarizotan free baseSarizotan (Standard)SARIZOTAN [MI]
Database identifiers
- CAS
351862-32-3
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 34.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 426
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Boiling point
- 507.7 · 507.7±45.0 °C(Predicted)
- Density
- 1.172 · 1.172±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 100 mg/mL · DMSO : 100 mg/mL (287.02 mM; Need ultrasonic)
- form
- Viscous Liquid
- pka
- 7.01 · 7.01±0.20(Predicted)
- color
- Colorless to light yellow
- FDA UNII
- 467 LU0UCUW · 467LU0UCUW
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesTreatment—associated dyskinesia in Parkinson’s disease.
Suppliers6 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
苏州致信生物科技有限公司0512-65118909 18100677375 · [email protected]
上海安毕达生物科技有限公司021-61629020 18201956406 · [email protected]
Related reactions
1 records
Compound notes
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