30914-89-7

30914-89-7 structure

Name: Flumexadol
Chemical Name: 2-[3-(Trifluoromethyl)phenyl]morpholine
CAS Number: 30914-89-7
Molecular Formula: C₁₁H₁₂F₃NO
Molecular Weight: 231.21400
Catalog: Signaling Pathways GPCR/G Protein 5-HT Receptor
Create Date: 2018-06-05 08:00:00
Modify Date: 2024-01-03 11:13:37
Flumexadol is an orally active non-narcotic analgesic. Flumexadol 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[1][2].

Name	2-[3-(Trifluoromethyl)phenyl]morpholine
Synonyms	1841CERM Flumexadolum [INN-Latin] 2-(3-(Trifluoromethyl)phenyl)morpholine 2-(3-Trifluormethylphenyl)-1,4-tetrahydro-oxazin 2-<3-(Trifluormethyl)-phenyl>-tetrahydro-1,4-oxazin CERM-1841 Flumexadol

Description	Flumexadol is an orally active non-narcotic analgesic. Flumexadol 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[1][2].
Related Catalog	Research Areas >> Neurological Disease Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor
Target	5-HT2C Receptor:25 nM (Ki)
In Vivo	In rats and dogs dosed with 14C-Flumexadol (CERM1841), the 14C is excreted in the urine. The 14C eliminated in the faeces of dog is significantly higher than for rat. Conjugated metabolites, mostly glucuronides, accounted for the greater part of the urinary radioactivity in both species. Biotransformation products are predominantly acids in both species, follows by significant amounts of basic metabolites, with very little neutral substances. The major urinary metabolite in rats is 3-trifluoromethylbenzoic acid and 3-trifluoromethylhipuric acid. In the dog it is 3-trifluoromethylmandelic acid in addition to the benzoic acid and its conjugate. The basic products identified in the urine of both species are unchanged drug and 1-amino-2-hydroxy-2-(3-trifluoromethylphenyl)ethane, with the first predominating[3].
References	[1]. Hache J, et al. The pharmacology of 1841 CERM, a new analgesic. Arzneimittelforschung. 1978;28(4):642-5. [2]. Nilsson BM. 5-Hydroxytryptamine 2C (5-HT2C) receptor agonists as potential antiobesity agents. J Med Chem. 2006 Jul 13;49(14):4023-34. [3]. Kucharczyk N, et al. Metabolites of 2-(3-trifluoromethylphenyl)tetrahydro-1,4-oxazine (CERM) 1841) in rats and dogs. Xenobiotica. 1979 Nov;9(11):703-11.

Density	1.209g/cm3
Boiling Point	271.5ºC at 760mmHg
Molecular Formula	C₁₁H₁₂F₃NO
Molecular Weight	231.21400
Flash Point	118ºC
Exact Mass	231.08700
PSA	21.26000
LogP	2.69510
Index of Refraction	1.464

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RP6435250

CHEMICAL NAME :: 1,4-Oxazine, tetrahydro-2-(alpha,alpha,alpha-trifluoro-m-tolyl)-

CAS REGISTRY NUMBER :: 30914-89-7

LAST UPDATED :: 199612

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C11-H12-F3-N-O

MOLECULAR WEIGHT :: 231.24

WISWESSER LINE NOTATION :: T6M DOTJ CR CXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 271 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 28,642,1978

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 495 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 28,642,1978

Hazard Codes	C
HS Code	2934999090

26629-93-6

30914-89-7

Literature: Busch,N. et al. European Journal of Medicinal Chemistry, 1976 , vol. 11, p. 201 - 207

401-78-5

30914-89-7

Literature: Busch,N. et al. European Journal of Medicinal Chemistry, 1976 , vol. 11, p. 201 - 207

Precursor 1
401-78-5
DownStream 0

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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