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Basic information
- CAS
135306-39-7- Standard SMILES
C[C@@H]1CO[C@@](O)(c2cc(F)cc(F)c2)[C@H](C)N1- InChIKey
OZGPVYJHWWPEFT-RGNHYFCHSA-N- Molecular formula
- C12H15F2NO2
- Average molar mass
- 243.25 g/mol
- Monoisotopic mass
- 243.10708505
Names & identifiers
- Preferred name
- Manifaxine
- IUPAC
- (2S,3S,5R)-2-(3,5-difluorophenyl)-3,5-dimethylmorpholin-2-ol
Names & synonyms
Manifaxine135306-39-7(2S,3S,5R)-2-(3,5-Difluorophenyl)-3,5-dimethylmorpholin-2-olManifaxine [INN:BAN]UNII-J8IE53G2IVJ8IE53G2IVmanifaxinaMANIFAXINE [INN]manifaxinumRefChem:155660Manifaxine hydrochlorideBW-1555U88
Show more names
135306-42-27ULY06A77E135306-39-7 (free base)2-(3,5-Difluorophenyl)-3,5-dimethyl-(2S-(2a,3a,5a))-2-morpholinol hydrochloride2-Morpholinol, 2-(3,5-difluorophenyl)-3,5-dimethyl-, hydrochloride, (2S,3S,5R)-UNII-7ULY06A77ECHEMBL115794orb1700008
Database identifiers
- CAS
135306-39-7、135306-42-2- PubChem CID
- 60829
- DTXSID
DTXSID60928953- ChEMBL
CHEMBL115794- UNII
- J8IE53G2IV
- Nikkaji
- J731.602J
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 269
Related reactions
5 records
Compound notes
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