Manifaxine

HCID 60829

Completing data — usually done within a minute

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

Related reactions

5 records

Compound notes

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