Arlitene
Basic information
- CAS
964-52-3- Standard SMILES
CC(=O)Oc1cc(C(C)C)c(OCC[NH+](C)C)cc1C.[Cl-]- InChIKey
IPWGSXZCDPTDEH-UHFFFAOYSA-N- Molecular formula
- C16H26ClNO3
- Average molar mass
- 315.83 g/mol
- Monoisotopic mass
- 315.1601214
Overview
See also: Moxisylyte Hydrochloride (preferred); Moxisylyte (has active moiety).
Names & identifiers
- Preferred name
- Arlitene
- IUPAC
- 2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride
- English name
- Moxisylyte hydrochloride
- Molecular formula
- C16H26ClNO3
- Molecular weight
- 315.84
Names & synonyms
ArliteneVasoklinM-101WV 3652-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium;chlorideEnfrentalLimatene5-(2-(N,N-Dimethylamino)ethoxy)carvacrol acetate hydrochlorideNCGC00015678-02CAS-964-52-3EINECS 213-519-4NSC 170448
Show more names
MoxylSQ-26970carlyteneNsc170448Antibiotic M-101opilonhydrochlorideAntibiotic SQ-26970
UNII-WK2KZM9V6XChlorhydrate de acetoxy-thymoxy-ethyl-dimethylamine [French]Tox21_110194(2-(4-Acetoxy-2-isopropyl-5-methylphenoxy)ethyl)dimethylamine hydrochlorideCarvacrol, 5-(2-(dimethylamino)ethoxy)-, acetate (ester), hydrochlorideCARVACROL, 5-(2-(N,N-DIMETHYLAMINO)ETHOXY)-, ACETATE, HYDROCHLORIDETox21_110194_1[4-[2-(dimethylamino)ethoxy]-2-methyl-5-propan-2-ylphenyl] acetate;hydron;chloride
Database identifiers
- CAS
964-52-3- PubChem CID
- 13758
- DTXSID
DTXSID9046946
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Melting point
- 208 · 208-210°
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 50 mg/mL · ethanol: soluble50mg/mL
- form
- powder
- color
- off-white
- FDA UNII
- 2 KZM9V6X · WK2KZM9V6X
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H332
- Precautionary statements
- 280 · P280
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22
- Safety Statements
- 36 · 36
- WGK Germany
- 3 · 3
- RTECS
- 1600000 · FI1600000
- Toxicity
- 50 in · LD50 in mice, rats (mg/kg): 265 ±19, 740 ±51 orally; 200 ±15, 190 ±19 s.c. (Roquebert, Canellas)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- rtecs
- FI1600000
- Toxicity
- LD50 in mice, rats (mg/kg): 265 ±19, 740 ±51 orally; 200 ±15, 190 ±19 s.c. (Roquebert, Canellas)
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 36
- Hazard statements
- H302-H312-H332
- Precautionary statements
- P280
Chemistry & industry
Applications
UsesVasodilatator;Alpha antagonist
UsesMoxisylyte Hydrochloride is α1-adrenoceptor antagonists.
Additional notes
DefinitionChEBI: Moxisylyte hydrochloride is a monoterpenoid.
Suppliers
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Related reactions
1 records
Compound notes
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