Basic information
- CAS
30914-89-7- Standard SMILES
FC(F)(F)c1cccc(C2CNCCO2)c1- InChIKey
GXPYCYWPUGKQIJ-UHFFFAOYSA-N- Molecular formula
- C11H12F3NO
- Average molar mass
- 231.21 g/mol
- Monoisotopic mass
- 231.08709849
Overview
structure
Names & identifiers
- Preferred name
- Flumexadol
- IUPAC
- 2-[3-(trifluoromethyl)phenyl]morpholine
- English name
- Flumexadol
- Molecular formula
- C11H12F3NO
- Molecular weight
- 231.21
Names & synonyms
Flumexadol2-[3-(trifluoromethyl)phenyl]morpholine2-(3-(Trifluoromethyl)phenyl)morpholineFlumexadol [INN]FlumexadolumFlumexadolum [INN-Latin]2-(alpha,alpha,alpha-Trifluoro-m-tolyl)morpholineUNII-V9783UEL0FBRN 1215543V9783UEL0FTetrahydro-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-1,4-oxazine1,4-Oxazine, tetrahydro-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-
Show more names
1841CERMCERM-18412-(α,α,α-Trifluoro-m-tolyl)morpholineMorpholine, 2-[3-(trifluoromethyl)phenyl]-
Flumexadolum (INN-Latin)2-(.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL)MORPHOLINERefChem:140844(+-)-FLUMEXADOLFLUMEXADOL, (+-)-2-(3-trifluoromethyl)phenyltetrahydro-1,4-oxazine862-087-930914-89-7
Database identifiers
- CAS
30914-89-7- PubChem CID
- 65774
- DTXSID
DTXSID00865570- ChEMBL
CHEMBL578767- UNII
- V9783UEL0F
- EC Number
- 862-087-9
- Nikkaji
- J20.324F
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 232
Experimental & physicochemical properties
LogP2.18
Physicochemical properties
- Boiling point
- 132 °C · 132 °C(Press: 10 Torr)
- Density
- 1.2081 · 1.2081 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 100 mg/mL · DMSO: 100 mg/mL (432.51 mM)
- pka
- 8.41 · 8.41±0.40(Predicted)
- form
- Liquid
- color
- Colorless to light yellow
- FDA UNII
- 9783 UEL0F · V9783UEL0F
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H315-H312-H332-H335-H302
- Precautionary statements
- 280 · P280-P305+P351+P338-P310-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H315-H312-H332-H335-H302
- Precautionary statements
- P280-P305+P351+P338-P310-P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P363-P501
Chemistry & industry
Applications
UsesFlumexadol is a selective and affinity 5-HT2C receptor agonist with a Ki of 25 nM for the (+)-enantiomer of Flumexadol, and is 40-fold selective over the 5-HT2A receptor. Flumexadol is an orally active non-narcotic analgesic[1][2].
Suppliers18 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Aladdin Scientific[email protected]
United Life Science020-82099279 18988968278 · [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]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
上海弘渠生物医药科技有限公司88888888888 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]
Related reactions
1 records
Compound notes
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