1416161-79-9
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Basic information
- Product Name: 1,8-Diazaspiro[4.5]dec-3-en-2-one, 1-(3-fluorophenyl)-7-Methyl-, hydrochloride (1:1), (5R,7S)-
- Synonyms: 1,8-Diazaspiro[4.5]dec-3-en-2-one, 1-(3-fluorophenyl)-7-Methyl-, hydrochloride (1:1), (5R,7S)-
- CAS NO:1416161-79-9
- Molecular Formula: C15H18ClFN2O
- Molecular Weight: 296.77
- EINECS: -0
- Product Categories: N/A
- Mol File: 1416161-79-9.mol
- Article Data: 0
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Chemical Properties
- Melting Point: N/A
- Boiling Point: N/A
- Flash Point: N/A
- Appearance: /
- Density: N/A
- Refractive Index: N/A
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 1,8-Diazaspiro[4.5]dec-3-en-2-one, 1-(3-fluorophenyl)-7-Methyl-, hydrochloride (1:1), (5R,7S)-(CAS DataBase Reference)
- NIST Chemistry Reference: 1,8-Diazaspiro[4.5]dec-3-en-2-one, 1-(3-fluorophenyl)-7-Methyl-, hydrochloride (1:1), (5R,7S)-(1416161-79-9)
- EPA Substance Registry System: 1,8-Diazaspiro[4.5]dec-3-en-2-one, 1-(3-fluorophenyl)-7-Methyl-, hydrochloride (1:1), (5R,7S)-(1416161-79-9)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 1416161-79-9(Hazardous Substances Data)
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Structure
Spiro compound with a diazabicyclic and an enone functional groupStereochemistry
(5R,7S)configuration at the chiral centerClassification
SpiroketoneFunctional groups
Diazabicyclic ring, enone, and phenyl group with a fluorine atomCounterion
Hydrochloride (HCl) as the counterion in the salt formPotential applications
Experimental drug with possible pharmacological propertiesResearch fields
Medicinal chemistry and pharmacologyChirality
The presence of a chiral center with specific stereochemistrySolubility
Likely to be soluble in water due to the hydrochloride salt form, and potentially soluble in organic solvents like methanol or ethanolStability
May be sensitive to light, heat, and moisture; should be stored under appropriate conditions to maintain stabilitySynthesis
The synthesis of this compound likely involves multiple steps, including the formation of the diazabicyclic ring, introduction of the enone group, and attachment of the 3-fluorophenyl groupBiological activity
The compound is under investigation for its potential biological activities, which may include effects on various receptors, enzymes, or other targets in the bodySafety
As an experimental drug, the safety profile of this compound is not fully established and should be handled with caution in a laboratory settingPurity
The purity of the compound is crucial for its effectiveness and safety, and it should be characterized using techniques like high-performance liquid chromatography (HPLC) or mass spectrometry (MS)Check Digit Verification of cas no
The CAS Registry Mumber 1416161-79-9 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,4,1,6,1,6 and 1 respectively; the second part has 2 digits, 7 and 9 respectively.Calculate Digit Verification of CAS Registry Number 1416161-79:
(9*1)+(8*4)+(7*1)+(6*6)+(5*1)+(4*6)+(3*1)+(2*7)+(1*9)=139
139 % 10 = 9
So 1416161-79-9 is a valid CAS Registry Number.
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1,8-Diazaspiro[4.5]dec-3-en-2-one, 1-(3-fluorophenyl)-7-Methyl-, hydrochloride (1:1), (5R,7S)-
